SCHEMBL4015503

SCHEMBL4015503

O=C(O)C=CC(=O)N(Cc1ccccc1)Cc1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
CFTR P13569 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
MC4R P32245 3/20 0.46
MC5R P33032 3/20 0.46
MC1R Q01726 3/20 0.46
MC3R P41968 2/20 0.45
LMNA P02545 1/20 0.44
RECQL P46063 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
METAP2 P50579 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL4015499 1.00 MAPT (0.54) MAPTHDAC1HDAC6CFTRTDP1
SCHEMBL4022321 0.83 MAPT (0.71) MAPTTDP1LMNACYP2D6CYP2C19
SCHEMBL4022324 0.83 MAPT (0.71) MAPTTDP1LMNACYP2D6CYP2C19
SCHEMBL12172749 0.83 MAPT (0.71) MAPTTDP1LMNACYP2D6CYP2C19
SCHEMBL4020838 0.82 CYP1A2 (0.53) TDP1LMNARECQLSMN1; SMN2CYP1A2
SCHEMBL4020831 0.82 CYP1A2 (0.53) TDP1LMNARECQLSMN1; SMN2CYP1A2
SCHEMBL25375484 0.79 HDAC1 (0.55) HDAC1HDAC6CFTRTDP1MC4R
SCHEMBL15779266 0.78 MAPT (0.63) MAPTTDP1LMNAKDM4EMEN1
SCHEMBL15779268 0.78 MAPT (0.63) MAPTTDP1LMNAKDM4EMEN1
SCHEMBL4018479 0.77 MAPT (0.57) MAPTMC4RMC5RMC3RCYP1A2

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 MAPT 3551/4885HDAC1 577/4885HDAC6 349/4885

“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.