SCHEMBL3824262

SCHEMBL3824262

CC1=C(c2ccc(NC(=O)c3ccncc3F)cc2)CN(Cc2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.45
RAB9A P51151 3/20 0.45
TP53 P04637 2/20 0.45
NPC1 O15118 2/20 0.45
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 3/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43
STIM1 Q13586 1/20 0.43
ORAI1 Q96D31 1/20 0.43
NOD1 Q9Y239 3/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TNF P01375 2/20 0.43
NOD2 Q9HC29 2/20 0.43
AURKA O14965 2/20 0.42
HIF1A Q16665 2/20 0.42
EPAS1 Q99814 2/20 0.42
GAA P10253 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
SCHEMBL987743 0.85 CRACR2A (0.44) STIM1ORAI1KMT2ANR3C1CRACR2A
SCHEMBL986835 0.83 MAPT (0.54) SMN1; SMN2RAB9ATP53NPC1MAPT
SCHEMBL14117304 0.82 STIM1 (0.48) SMN1; SMN2RAB9ATP53NPC1MAPT
SCHEMBL615223 0.80 KDM4E (0.43) SMN1; SMN2MAPTMAPK1LMNAUSP2
SCHEMBL3830830 0.80 STIM1 (0.46) SMN1; SMN2RAB9ANPC1MAPK1LMNA
SCHEMBL986498 0.80 STIM1 (0.50) RAB9ANPC1LMNASTIM1ORAI1
SCHEMBL4560056 0.80 MEN1 (0.55) SMN1; SMN2RAB9ATP53NPC1MAPT
SCHEMBL3829884 0.79 STIM1 (0.45) STIM1ORAI1CRACR2ANAMPT
SCHEMBL986733 0.79 STIM1 (0.45) SMN1; SMN2RAB9ATP53NPC1MAPT
SCHEMBL1781207 0.79 TRPV1 (0.47) SMN1; SMN2RAB9ATP53NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086326-B1 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2014-01-08 EP disclosed
EP-2086326-B1 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2014-01-08 EP disclosed
EP-2086326-A2 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2009-08-12 EP disclosed
US-20080207641-A1 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-08-28 US disclosed
US-20080207641-A1 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-08-28 US disclosed
US-20080207641-A1 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-08-28 US disclosed
WO-2008063504-A2 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-05-29 WO disclosed
WO-2008063504-A2 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2008-05-29 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-20080207641-A1 CYCLOHEXENYL-ARYL COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CCR3, CCR9 SMN1; SMN2 4793/4885RAB9A 2641/4885TP53 1707/4885

“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.