SCHEMBL10076

SCHEMBL10076

Cc1noc(-c2ccc(-c3ccc(CCC(=O)O)cc3)cc2)c1Nc1nnc(-c2ccccc2)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.47
FFAR1 O14842 4/20 0.46
LMNA P02545 1/20 0.43
LPAR3 Q9UBY5 3/20 0.42
LPAR2 Q9HBW0 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
FFAR4 Q5NUL3 1/20 0.41
CES1 P23141 1/20 0.41
GSK3B P49841 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9830 0.90 KMT2A (0.46) LPAR1LMNALPAR3LPAR2MEN1
SCHEMBL9976 0.84 RAB9A (0.54) LPAR1LMNALPAR3MEN1NPC1
SCHEMBL18167241 0.82 LPAR1 (0.46) LPAR1LPAR3MEN1NPC1TP53
SCHEMBL9560 0.81 TSHR (0.52) LPAR1LMNALPAR3MEN1NPC1
SCHEMBL4746 0.80 ACHE (0.52) LPAR1LPAR3MEN1NPC1TP53
SCHEMBL9479 0.79 LPAR1 (0.60) LPAR1LPAR3MEN1NPC1TP53
SCHEMBL4137 0.78 FFAR1 (0.46) LPAR1FFAR1LMNALPAR3LPAR2
SCHEMBL9717 0.77 LPAR1 (0.51) LPAR1LPAR3TP53SMN1; SMN2KDM4E
SCHEMBL9841 0.76 LPAR1 (0.48) LPAR1LPAR3MEN1NPC1TP53
SCHEMBL14710363 0.74 LPAR1 (0.64) LPAR1FFAR1LPAR3LPAR2FFAR4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2483251-B1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2016-10-26 EP claimed
US-8664220-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-03-04 US claimed
EP-2483251-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP claimed
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO claimed
US-11147800-B2 Combinatorial methods to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof RACE ONCOLOGY LTD. (AU) 2021-10-19 US disclosed
US-11135201-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof RACE ONCOLOGY LTD. (AU) 2021-10-05 US disclosed
CN-112472699-A Combination methods for improving the therapeutic benefit of bisantrene and derivatives 种族肿瘤学公司 2021-03-12 CN disclosed
US-20200163940-A1 COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF RACE ONCOLOGY LTD. (AU) 2020-05-28 US disclosed
US-20200163939-A1 COMBINATORIAL METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF SG CREDIT PARTNERS, INC. 2020-05-28 US disclosed
US-10548876-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof RACE ONCOLOGY LTD. (AU) 2020-02-04 US disclosed
US-20190076404-A1 COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF RACE ONCOLOGY LTD. (AU) 2019-03-14 US disclosed
US-20180256549-A1 COMBINATORIAL METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF RACE ONCOLOGY LTD. (AU) 2018-09-13 US disclosed
CN-102770415-B Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS INC 2014-09-24 CN disclosed
US-8664220-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-8664220-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2014-03-04 US disclosed
US-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2013-03-21 US disclosed
US-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. (US) 2013-03-21 US disclosed
EP-2483251-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed
WO-2011041462-A2 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2011-04-07 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20200163939-A1 COMBINATORIAL METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF CYP3A43, CYP11B1, MCL1 LPAR1 1224/4885FFAR1 2555/4885LMNA 3698/4885
US-20130072490-A1 POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 LPAR1 1/4885FFAR1 21/4885LMNA 647/4885
US-11135201-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, HCCS, MCL1 LPAR1 1719/4885FFAR1 2476/4885LMNA 2064/4885
US-11147800-B2 Combinatorial methods to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, CYP11B1, MCL1 LPAR1 1224/4885FFAR1 2555/4885LMNA 3698/4885
US-20200163940-A1 COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF CYP3A43, HCCS, MCL1 LPAR1 1719/4885FFAR1 2476/4885LMNA 2064/4885
US-20190076404-A1 COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF CYP3A43, CYP11B1, CYP11B2 LPAR1 1225/4885FFAR1 1796/4885LMNA 2114/4885
US-20180256549-A1 COMBINATORIAL METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF CYP3A43, CYP11B1, MCL1 LPAR1 1224/4885FFAR1 2555/4885LMNA 3698/4885
US-10548876-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, CYP11B1, CYP11B2 LPAR1 1225/4885FFAR1 1796/4885LMNA 2114/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.