SCHEMBL7950

SCHEMBL7950

CCOC(=O)C#Cc1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MAPT P10636 3/20 0.45
LMNA P02545 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MEN1 O00255 2/20 0.45
S1PR4 O95977 1/20 0.45
S1PR1 P21453 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C9 P11712 3/20 0.43
CYP3A4 P08684 2/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HTT P42858 1/20 0.41
ACACB O00763 1/20 0.40
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TARBP2 Q15633 1/20 0.38

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
SCHEMBL28747451 0.86 VCP (0.46) KMT2AMAPTMEN1CYP2C9ALDH1A1
SCHEMBL9935172 0.84 CA12 (0.50) KMT2AMAPTLMNATSHRALDH1A1
SCHEMBL11544791 0.83 ALDH1A1 (0.53) ALDH1A1ACACBNPC1L3MBTL1
SCHEMBL6553406 0.83 GPR35 (0.40) KMT2AMAPTLMNANPSR1MEN1
SCHEMBL2300644 0.83 ACACB (0.44) MAPTTSHRALDH1A1HPGDACACB
SCHEMBL852379 0.83 L3MBTL1 (0.44) KMT2AMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL788820 0.83 APP (0.49) TSHRALDH1A1ACACB
SCHEMBL2433672 0.83 APP (0.45) KMT2AMAPTLMNANPSR1MEN1
SCHEMBL1977638 0.83 POLB (0.44) KMT2AMAPTLMNANPSR1MEN1
SCHEMBL11236951 0.83 LMNA (0.51) KMT2AMAPTLMNANPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022147448-A1 COMPOUNDS AND METHODS FOR MODULATING FXR TERNS PHARMACEUTICALS, INC. (US) 2022-07-07 WO disclosed
US-10196369-B2 Spirocyclic EBI2 modulators Sanford Burnham Prebys Medical Discovery Institute (US) 2019-02-05 US disclosed
US-9624182-B2 Compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2017-04-18 US disclosed
EP-2483252-B1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC (US) 2017-03-08 EP disclosed
EP-2632261-B1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS INC (US) 2016-07-13 EP disclosed
US-20160176875-A1 SPIROCYCLIC EBI2 MODULATORS Sanford Burnham Prebys Medical Discovery Institute 2016-06-23 US disclosed
US-9321738-B2 N-alkyltriazole compounds as LPAR antagonists HOFFMAN-LA ROCHE INC. (US) 2016-04-26 US disclosed
US-9309260-B2 Inhibitors of hepatitis C virus PRESIDIO PHARMACEUTICALS, INC. (US) 2016-04-12 US disclosed
US-9309260-B2 Inhibitors of hepatitis C virus PRESIDIO PHARMACEUTICALS, INC. (US) 2016-04-12 US disclosed
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS, INC. (US) 2015-11-19 US disclosed
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-17 US disclosed
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. 2014-07-17 US disclosed
WO-2013189864-A1 N-ALKYLTRIAZOLE COMPOUNDS AS LPAR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2013-12-27 WO disclosed
US-20130302282-A1 Inhibitors of Hepatitis C Virus PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-14 US disclosed
US-20130302282-A1 Inhibitors of Hepatitis C Virus PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-14 US disclosed
US-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AMIRA PHARMACEUTICALS INC. 2012-11-15 US disclosed
US-20120276051-A1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS, INC. (US) 2012-11-01 US disclosed
US-20120251497-A1 INHIBITORS OF HEPATITIS C VIRUS PRESIDIO PHARMACEUTICALS, INC. 2012-10-04 US disclosed
EP-2483252-A2 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS Amira Pharmaceuticals, Inc. (US) 2012-08-08 EP disclosed
WO-2011041694-A2 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-20120276051-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, LIPC, HCCS KMT2A 4092/4885MAPT 3566/4885LMNA 2548/4885
US-20160176875-A1 SPIROCYCLIC EBI2 MODULATORS HAVCR2, BIRC2, ESR2 KMT2A 1255/4885MAPT 4384/4885LMNA 2987/4885
US-20120289522-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 KMT2A 2185/4885MAPT 3775/4885LMNA 787/4885
US-10196369-B2 Spirocyclic EBI2 modulators HAVCR2, BIRC2, ESR2 KMT2A 1255/4885MAPT 4384/4885LMNA 2987/4885
US-20150329502-A1 COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR4 KMT2A 2185/4885MAPT 3775/4885LMNA 787/4885
US-20130302282-A1 Inhibitors of Hepatitis C Virus HAVCR2, LIPC, HCCS KMT2A 4092/4885MAPT 3566/4885LMNA 2548/4885
US-20140200215-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 KMT2A 2450/4885MAPT 4564/4885LMNA 701/4885
US-20120251497-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, LIPC, HCCS KMT2A 4092/4885MAPT 3566/4885LMNA 2548/4885

“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.