SCHEMBL43642

SCHEMBL43642

CCc1cccc(CCC(N)=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.46
PLA2G2A P14555 1/20 0.46
CAPN1 P07384 1/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
BCL2 P10415 1/20 0.44
MAPT P10636 1/20 0.43
FFAR1 O14842 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
CYP2D6 P10635 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
SCHEMBL22423216 0.86 IAPP (0.56) CAPN1ALDH1A1LMNAFFAR1CYP2D6
SCHEMBL22047275 0.85 ALDH1A1 (0.60) CAPN1ALDH1A1LMNAMAPTFFAR1
SCHEMBL27705549 0.83 CYP4F2 (0.49) CAPN1ALDH1A1LMNAMAPTFFAR1
SCHEMBL27705548 0.83 CYP4F2 (0.49) CAPN1ALDH1A1LMNAMAPTFFAR1
SCHEMBL10750775 0.83 ALDH1A1 (0.62) PLA2G10PLA2G2AALDH1A1LMNABCL2
SCHEMBL3674500 0.83 KEAP1 (0.61) PLA2G10PLA2G2AALDH1A1BCL2FFAR1
SCHEMBL3053513 0.81 TAAR1 (0.58) ALDH1A1LMNAHDAC3HDAC1HDAC2
SCHEMBL7770956 0.81 LMNA (0.46) ALDH1A1LMNABCL2SIGMAR1
SCHEMBL12993402 0.81 CYP1A2 (0.45) CAPN1HDAC4HDAC2HDAC8
SCHEMBL608891 0.80 ALDH1A1 (0.57) CAPN1ALDH1A1LMNAFFAR1PRMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011157670-A2 NOVEL PROCESS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-22 WO disclosed
WO-2011157670-A2 NOVEL PROCESS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-22 WO disclosed
US-20110313196-A1 NOVEL PROCESS HOFFMANN-LA ROCHE, INC. 2011-12-22 US disclosed
US-20110313196-A1 NOVEL PROCESS HOFFMANN-LA ROCHE, INC. 2011-12-22 US disclosed
US-20110313196-A1 NOVEL PROCESS HOFFMANN-LA ROCHE, INC. 2011-12-22 US disclosed
US-7858616-B2 Indolinone derivatives substituted in the 6 position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-12-28 US disclosed
US-7803956-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2010-09-28 US disclosed
US-7659412-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER HEALTHCARE LLC (US) 2010-02-09 US disclosed
US-20090292014-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-11-26 US disclosed
US-20090197876-A1 INDOLINONE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-08-06 US disclosed
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-01-22 US 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 (4 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-20090292014-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 PLA2G10 4540/4885PLA2G2A 4513/4885CAPN1 4409/4885
US-20110313196-A1 NOVEL PROCESS CYP3A5, CYP3A4, GBA1 PLA2G10 2580/4885PLA2G2A 2652/4885CAPN1 2547/4885
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 PLA2G10 4540/4885PLA2G2A 4513/4885CAPN1 4409/4885
US-20090197876-A1 INDOLINONE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, ERBB2 PLA2G10 4399/4885PLA2G2A 3679/4885CAPN1 4452/4885

“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.