SCHEMBL3707019

SCHEMBL3707019

COC(=O)c1c(C)noc1-c1ccc(Br)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.58
ALDH1A1 P00352 2/20 0.43
PKM P14618 2/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 2/20 0.43
RAB9A P51151 1/20 0.43
TSHR P16473 1/20 0.41
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 2/20 0.40
KCNH2 Q12809 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
TP53 P04637 1/20 0.40
PTGS1 P23219 1/20 0.40
CNR2 P34972 1/20 0.38
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL30494008 0.87 ALDH1A1 (0.59) HTTALDH1A1PKMPOLBKDM4E
SCHEMBL24287938 0.87 ALDH1A1 (0.59) HTTALDH1A1PKMPOLBKDM4E
SCHEMBL29908028 0.85 HTT (0.59) HTTALDH1A1PKMPOLBKDM4E
SCHEMBL3709622 0.85 ALDH1A1 (0.42) HTTALDH1A1PKMPOLBKDM4E
SCHEMBL1883 0.81 RAB9A (0.57) HTTALDH1A1PKMPOLBKDM4E
SCHEMBL31138102 0.80 HTT (0.53) HTTALDH1A1POLBKDM4ERAB9A
SCHEMBL25953689 0.80 HTT (0.53) HTTALDH1A1POLBKDM4ERAB9A
SCHEMBL29907964 0.80 HTT (0.59) HTTALDH1A1PKMPOLBKDM4E
SCHEMBL25340410 0.80 HTT (0.59) HTTALDH1A1PKMPOLBKDM4E
SCHEMBL3711198 0.77 LPAR1 (0.42) ALDH1A1POLBKDM4ERAB9ATSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022174882-A1 5-MEMBERED HETEROCYCLYL CARBAMATE DERIVATIVES AS DUAL LPA RECEPTOR 1 AND LPA RECEPTOR 2 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2022-08-25 WO disclosed
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 US disclosed
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 US disclosed
US-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 US disclosed
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 WO disclosed
WO-2010077882-A2 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-07-08 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 (1 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-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 HTT 3033/4885ALDH1A1 3791/4885PKM 2247/4885

“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.