SCHEMBL9958540

SCHEMBL9958540

Cc1cc2cc(CO)ccc2n1Cc1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.48
CCR2 P41597 5/20 0.47
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
PTGS2 P35354 4/20 0.43
GALR3 O60755 1/20 0.42
NR2F2 P24468 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
S1PR1 P21453 1/20 0.41
TYMS P04818 1/20 0.40
KDM4E B2RXH2 3/20 0.40
POLB P06746 1/20 0.40

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) CCR2HDAC1HDAC2HDAC8HDAC6
SCHEMBL9959205 0.85 MEN1 (0.56) CCR2HDAC1HDAC2HDAC8HDAC6
SCHEMBL6084959 0.84 MEN1 (0.49) CCR2HDAC1HDAC2HDAC8HDAC6
SCHEMBL9958509 0.82 CCR2 (0.44) CCR2HDAC1HDAC2HDAC8HDAC6
SCHEMBL9958735 0.82 KDM4E (0.50) CCR2HDAC1HDAC2HDAC8HDAC6
SCHEMBL9959670 0.82 HDAC1 (0.45) CCR2HDAC1HDAC2HDAC8HDAC6
SCHEMBL6823866 0.81 CCR2 (0.52) CCR2HDAC1HDAC2HDAC8HDAC6
SCHEMBL9959873 0.81 DRD2 (0.46) CCR2HDAC1HDAC2HDAC8HDAC6
SCHEMBL9953494 0.80 CCR2 (0.55) CCR2HDAC1HDAC2HDAC8HDAC6
SCHEMBL9959250 0.80 CCR2 (0.46) CCR2HDAC1HDAC2HDAC8HDAC6

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
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
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 BRD4 2014/4885CCR2 2914/4885HDAC1 757/4885

“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.