SCHEMBL9958735

SCHEMBL9958735

Cc1cc2cc(N)ccc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CCR2 P41597 6/20 0.49
TYMS P04818 1/20 0.46
TNF P01375 1/20 0.42
CXCL8 P10145 1/20 0.42
SOS1 Q07889 1/20 0.42
NOD2 Q9HC29 1/20 0.42
NOD1 Q9Y239 1/20 0.42
GALR3 O60755 1/20 0.42
NR2F2 P24468 1/20 0.42
RAB9A P51151 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42

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
SCHEMBL6086333 0.87 CCR2 (0.55) KDM4ESMN1; SMN2CCR2TYMSGALR3
SCHEMBL6084959 0.84 MEN1 (0.49) KDM4ESMN1; SMN2CCR2TYMSGALR3
SCHEMBL9959670 0.82 HDAC1 (0.45) KDM4ECCR2TYMSGALR3NR2F2
SCHEMBL9959205 0.82 MEN1 (0.56) KDM4ESMN1; SMN2ALDH1A1CCR2TYMS
SCHEMBL9958540 0.82 BRD4 (0.48) KDM4ESMN1; SMN2ALDH1A1CCR2TYMS
SCHEMBL6823866 0.81 CCR2 (0.52) CCR2GALR3NR2F2RAB9AHDAC1
SCHEMBL9959873 0.81 DRD2 (0.46) KDM4EALDH1A1HSD17B10CCR2TYMS
SCHEMBL6086266 0.80 HDAC1 (0.62) KDM4ESMN1; SMN2ALDH1A1CCR2TNF
SCHEMBL6085520 0.79 CCR2 (0.56) KDM4EALDH1A1CCR2PTGS2MDM4
SCHEMBL9958509 0.79 CCR2 (0.44) KDM4EALDH1A1CCR2TYMSGALR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9657012-B2 FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. (US) 2017-05-23 US disclosed
EP-2655356-B1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS INC (US) 2016-08-03 EP disclosed
CN-103502237-B Faah inhibitor IRONWOOD PHARMACEUTICALS, INC. (US) 2016-01-20 CN disclosed
US-20150175599-A1 FAAH Inhibitors IRONWOOD PHARMACEUTICALS, INC. (US) 2015-06-25 US disclosed
CN-103502237-A FAAH inhibitors IRONWOOD PHARMACEUTICALS INC 2014-01-08 CN disclosed
EP-2655356-A1 FAAH INHIBITORS Ironwood Pharmaceuticals, Inc. (US) 2013-10-30 EP disclosed
WO-2012088469-A1 FAAH INHIBITORS IRONWOOD PHARMACEUTICALS, INC. (US) 2012-06-28 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-20150175599-A1 FAAH Inhibitors FAAH, FAAH2, ASAH1 KDM4E 2260/4885SMN1; SMN2 1869/4885ALDH1A1 314/4885

“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.