SCHEMBL4928476

SCHEMBL4928476

NC(=O)C=C1c2ccccc2-c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39
▸ BCAT2 O15382 1/20 0.39
▸ TRPA1 O75762 1/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37

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
SCHEMBL28899441 0.81 ATM (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29958380 0.81 ATM (0.43) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL130160 0.78 TRPA1 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
Urea SCHEMBL6255302 0.76 KMT2A (0.50) BCAT2CYP3A4CYP2C19MAPTKDM4E
SCHEMBL24704037 0.71 CDC25A (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9392134 0.69 RAD52 (0.47) BCAT2CYP3A4CYP2C19CYP1A2CYP2D6
SCHEMBL9392141 0.69 RAD52 (0.47) BCAT2CYP3A4CYP2C19CYP1A2CYP2D6
SCHEMBL9392144 0.69 RAD52 (0.47) BCAT2CYP3A4CYP2C19CYP1A2CYP2D6
SCHEMBL4981378 0.68 MEN1 (0.52) ALDH1A1L3MBTL1KMT2AMEN1
SCHEMBL9391470 0.67 CES1 (0.45) MAOACES1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080090863-A1 Pyridine Derivatives and Their Use as Medicaments for Treating Diseases Related to Mch Receptor TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 — — US disclosed
CN-1349990-A Heterocyclic compound, its preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-05-22 — — CN disclosed
CN-1077107-C Heterocyclic compounds, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-01-02 — — CN disclosed
CN-1223653-A Heterocyclic compounds, their preparation and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-07-21 — — CN 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-20080090863-A1 Pyridine Derivatives and Their Use as Medicaments for Treating Diseases Related to Mch Receptor MCHR1, GPR119, MCHR2 HDAC3 1484/4885HDAC4 1521/4885HDAC1 1806/4885

“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.

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