SCHEMBL3827005

SCHEMBL3827005

CC1=C(c2ccc(NCc3c(F)cccc3F)cc2)CN(c2nccs2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.38
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
MPI P34949 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
STIM1 Q13586 3/20 0.35
ORAI1 Q96D31 3/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
TRPV1 Q8NER1 2/20 0.34
HSD17B10 Q99714 1/20 0.34
ALOX12 P18054 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
HTT P42858 1/20 0.32
DYRK3 O43781 1/20 0.32

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
SCHEMBL8183699 0.88 STIM1 (0.47) EEDSTIM1ORAI1IDO1TDO2
Hydrochloric Acid SCHEMBL3824937 0.87 STIM1 (0.46) EEDSTIM1ORAI1IDO1TDO2
SCHEMBL987860 0.82 TRPV1 (0.45) MEN1MAPTKMT2ASTIM1ORAI1
Hydrochloric Acid SCHEMBL3559784 0.81 TRPV1 (0.44) MEN1MAPTKMT2ASTIM1ORAI1
SCHEMBL615209 0.81 ALDH1A1 (0.41) MEN1ALDH1A1KDM4EMAPTMAPK1
SCHEMBL1783736 0.80 TRPV1 (0.44) MEN1ALDH1A1MAPTKMT2AIDO1
SCHEMBL1781223 0.80 RAB9A (0.47) MEN1ALDH1A1KDM4EMAPTKMT2A
SCHEMBL10819913 0.80 TRPV1 (0.43) MEN1KMT2ASTIM1ORAI1TRPV1
SCHEMBL3824697 0.79 TRPV1 (0.42) MEN1MAPTKMT2ASTIM1ORAI1
SCHEMBL3827342 0.77 TRPV1 (0.43) ALDH1A1MAPTMAPK1KMT2ATRPV1

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 9 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-0789842-B1 METHOD OF SELECTING NON-DIABETOGENIC MILK OR MILK PRODUCTS AND MILK OR MILK PRODUCTS SO SELECTED A2 CORP LTD (NZ) 2009-09-09 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 EED 3518/4885MEN1 4648/4885ALDH1A1 2067/4885

“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.