SCHEMBL365812

SCHEMBL365812

COC(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.64
RAB9A P51151 3/20 0.64
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
MAPT P10636 2/20 0.62
MAPK1 P28482 2/20 0.55
S1PR1 P21453 1/20 0.53
HTR2A P28223 1/20 0.53
KCNH2 Q12809 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
S1PR5 Q9H228 1/20 0.53
FFAR1 O14842 3/20 0.53
MAOA P21397 2/20 0.53
MAOB P27338 2/20 0.53
SCN9A Q15858 1/20 0.53
ADAM17 P78536 1/20 0.53
MRGPRX4 Q96LA9 2/20 0.52
LMNA P02545 1/20 0.52

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
SCHEMBL10324507 0.86 S1PR1 (0.54) NPC1RAB9AMEN1KMT2AS1PR1
SCHEMBL540059 0.85 MAOB (0.70) SMN1; SMN2S1PR1HTR2AKCNH2SIGMAR1
SCHEMBL975973 0.85 MRGPRX4 (0.63) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL30412015 0.85 MRGPRX4 (0.63) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL11350421 0.85 RAB9A (0.82) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL10236929 0.85 RAB9A (0.82) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL366521 0.84 NR4A2 (0.69) NPC1RAB9ASMN1; SMN2S1PR1HTR2A
SCHEMBL11218725 0.84 NPC1 (0.86) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL14216112 0.83 NPC1 (0.65) NPC1RAB9AMEN1KMT2AS1PR1
SCHEMBL7907944 0.82 MAOB (0.56) MEN1KMT2AFFAR1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2528901-B9 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2017-01-25 EP disclosed
US-9096500-B2 Acyl sulfonamide compounds PFIZER LIMITED (GB) 2015-08-04 US disclosed
US-9096500-B2 Acyl sulfonamide compounds PFIZER LIMITED (GB) 2015-08-04 US disclosed
US-9096500-B2 Acyl sulfonamide compounds PFIZER LIMITED (GB) 2015-08-04 US disclosed
EP-2528901-B1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2015-05-27 EP disclosed
EP-2593428-B1 N-SULFONYLBENZAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS PFIZER LTD (GB) 2014-11-19 EP disclosed
EP-2593428-B1 N-SULFONYLBENZAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS PFIZER LTD (GB) 2014-11-19 EP disclosed
US-8791272-B2 Pyrazole compounds as CRTH2 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-29 US disclosed
EP-2593428-A2 N-SULFONYLBENZAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS Pfizer Limited (GB) 2013-05-22 EP disclosed
US-20130109701-A1 Chemical Compounds PFIZER LIMITED (GB) 2013-05-02 US disclosed
US-20130109701-A1 Chemical Compounds PFIZER LIMITED (GB) 2013-05-02 US disclosed
US-20130109701-A1 Chemical Compounds PFIZER LIMITED (GB) 2013-05-02 US disclosed
EP-2528901-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-12-05 EP disclosed
US-20120028938-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
WO-2012007868-A2 CHEMICAL COMPOUNDS PFIZER LIMITED (GB) 2012-01-19 WO disclosed
WO-2012007868-A2 CHEMICAL COMPOUNDS PFIZER LIMITED (GB) 2012-01-19 WO disclosed
WO-2011092140-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 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 (2 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-20120028938-A1 PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS HRH2, HRH1, HRH3 NPC1 2377/4885RAB9A 2939/4885MEN1 2302/4885
US-20130109701-A1 Chemical Compounds SCN1A, SCN1B, SCN7A NPC1 2039/4885RAB9A 987/4885MEN1 2927/4885

“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.