SCHEMBL4018977

SCHEMBL4018977

O=C(O)/C=C/C(=O)NCc1ccc(F)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.72
LMNA P02545 4/20 0.72
CYP2C19 P33261 2/20 0.72
CYP2D6 P10635 1/20 0.72
KMT2A Q03164 3/20 0.57
MEN1 O00255 1/20 0.57
POLB P06746 2/20 0.56
HTT P42858 1/20 0.54
RAB9A P51151 2/20 0.53
NPC1 O15118 1/20 0.51
MAOB P27338 1/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
TAAR1 Q96RJ0 2/20 0.50
PLA2G1B P04054 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
GAA P10253 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
SCHEMBL4018980 1.00 ALDH1A1 (0.72) ALDH1A1LMNACYP2C19CYP2D6KMT2A
SCHEMBL26761468 0.91 ALDH1A1 (0.85) ALDH1A1LMNACYP2C19CYP2D6KMT2A
SCHEMBL5175917 0.84 ALDH1A1 (1.00) ALDH1A1LMNACYP2C19CYP2D6KMT2A
SCHEMBL4021293 0.84 ALDH1A1 (1.00) ALDH1A1LMNACYP2C19CYP2D6KMT2A
SCHEMBL4021288 0.84 ALDH1A1 (1.00) ALDH1A1LMNACYP2C19CYP2D6KMT2A
SCHEMBL5331523 0.83 LMNA (1.00) ALDH1A1LMNACYP2C19CYP2D6KMT2A
SCHEMBL5331527 0.83 LMNA (1.00) ALDH1A1LMNACYP2C19CYP2D6KMT2A
SCHEMBL11927837 0.83 ALDH1A1 (0.72) ALDH1A1LMNACYP2C19CYP2D6KMT2A
SCHEMBL3633280 0.83 ALDH1A1 (0.72) ALDH1A1LMNACYP2C19CYP2D6KMT2A
SCHEMBL15431334 0.83 ALDH1A1 (0.72) ALDH1A1LMNACYP2C19CYP2D6KMT2A

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-7482379-B2 Propenoyl hydrazides GEORGIA TECH RESEARCH CORPORATION (US) 2009-01-27 US disclosed
EP-1723124-A1 PROPENOYL HYDRAZIDES Georgia Tech Research Corporation (US) 2006-11-22 EP 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
WO-2005080353-A1 PROPENOYL HYDRAZIDES GEORGIA TECH RESEARCH CORPORATION (US) 2005-09-01 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-20050256058-A1 Propenoyl hydrazides DNPEP, HPN, PREP ALDH1A1 2687/4885LMNA 2599/4885CYP2C19 4677/4885

“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.