SCHEMBL9959522

SCHEMBL9959522

COc1ccc2c(c1)cc(C)n2Cc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
MDM2 Q00987 1/20 0.41
HPGD P15428 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.39
CCR2 P41597 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL13802402 0.79 MAPT (0.47) KMT2AMEN1PTGDR2ALDH1A1KDM4E
SCHEMBL6491895 0.73 CYP1A2 (0.43) NPSR1KMT2AMEN1TDP1L3MBTL1
SCHEMBL27433056 0.72 MEN1 (0.66) NPSR1KMT2AMEN1TDP1L3MBTL1
SCHEMBL6085520 0.71 CCR2 (0.56) KMT2AMEN1PTGDR2MDM2ALDH1A1
SCHEMBL16818945 0.70 PTGDR2 (0.49) KMT2AMEN1TDP1PTGDR2ALDH1A1
SCHEMBL16818977 0.69 PTGDR2 (0.42) TDP1PTGDR2ALDH1A1POLBCCR2
SCHEMBL6487805 0.69 KDM4E (0.42) NPSR1KMT2AMEN1TDP1L3MBTL1
SCHEMBL6501965 0.68 CYP1A2 (0.43) NPSR1KMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL12584925 0.68 TDP1 (0.68) NPSR1KMT2AMEN1TDP1L3MBTL1
SCHEMBL6648744 0.68 PTGS2 (0.53) KMT2APTGDR2ALDH1A1KDM4EMAPT

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 5 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
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 NPSR1 425/4885KMT2A 2910/4885MEN1 3882/4885

“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.