SCHEMBL4020013

SCHEMBL4020013

O=C(O)/C=C/C(=O)NCc1cccc(-c2ccccc2)c1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.73
▸ LMNA P02545 2/20 0.73
▸ CYP2D6 P10635 1/20 0.73
▸ CYP2C19 P33261 1/20 0.73
▸ AOC3 Q16853 2/20 0.60
▸ PADI3 Q9ULW8 1/20 0.59
▸ PADI4 Q9UM07 1/20 0.59
▸ PADI2 Q9Y2J8 1/20 0.59
▸ TAAR1 Q96RJ0 4/20 0.56
▸ POLB P06746 1/20 0.55
▸ MMP1 P03956 2/20 0.53
▸ MMP2 P08253 2/20 0.53
▸ MMP9 P14780 2/20 0.53
▸ KMT2A Q03164 2/20 0.52
▸ GAA P10253 1/20 0.52
▸ KDM4E B2RXH2 3/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ HTT P42858 1/20 0.50
▸ MAPT P10636 1/20 0.50

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
SCHEMBL1552725 0.89 ALDH1A1 (0.80) ALDH1A1LMNACYP2D6CYP2C19TAAR1
SCHEMBL4021293 0.85 ALDH1A1 (1.00) ALDH1A1LMNACYP2D6CYP2C19TAAR1
SCHEMBL5175917 0.85 ALDH1A1 (1.00) ALDH1A1LMNACYP2D6CYP2C19TAAR1
SCHEMBL4021288 0.85 ALDH1A1 (1.00) ALDH1A1LMNACYP2D6CYP2C19TAAR1
SCHEMBL5158355 0.80 ALDH1A1 (0.89) ALDH1A1LMNACYP2D6CYP2C19TAAR1
SCHEMBL10336384 0.80 ALDH1A1 (0.89) ALDH1A1LMNACYP2D6CYP2C19TAAR1
SCHEMBL27311354 0.80 ALDH1A1 (0.89) ALDH1A1LMNACYP2D6CYP2C19TAAR1
SCHEMBL31705223 0.80 SENP1 (0.53) ALDH1A1LMNACYP2D6CYP2C19AOC3
SCHEMBL26761468 0.78 ALDH1A1 (0.85) ALDH1A1LMNACYP2D6CYP2C19TAAR1
SCHEMBL6418674 0.78 AOC3 (0.67) ALDH1A1LMNAAOC3PADI3KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482379-B2 Propenoyl hydrazides GEORGIA TECH RESEARCH CORPORATION (US) 2009-01-27 — — US disclosed
US-20050256058-A1 Propenoyl hydrazides NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-11-17 — — 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 (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-20050256058-A1 Propenoyl hydrazides DNPEP, HPN, PREP ALDH1A1 2687/4885LMNA 2599/4885CYP2D6 4382/4885

“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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