SCHEMBL14482124

SCHEMBL14482124

COC(=O)/C=C(/C)Nc1cccc2c(N/C(C)=C\C(=O)O)cccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 4/20 0.45
GAA P10253 4/20 0.45
MAPK1 P28482 3/20 0.45
HPGD P15428 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
MEN1 O00255 2/20 0.45
POLB P06746 1/20 0.44
TSHR P16473 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
CYP1A2 P05177 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL14482127 1.00 MAPT (0.45) MAPTKDM4EALDH1A1KMT2AGAA
SCHEMBL2560215 0.94 ALDH1A1 (0.49) MAPTKDM4EALDH1A1KMT2AGAA
SCHEMBL14482166 0.80 MAPT (0.50) MAPTKDM4EALDH1A1KMT2AGAA
SCHEMBL14482167 0.80 MAPT (0.50) MAPTKDM4EALDH1A1KMT2AGAA
SCHEMBL10005934 0.79 ALDH1A1 (0.52) MAPTKDM4EALDH1A1KMT2AGAA
SCHEMBL3725713 0.78 MAPT (0.59) MAPTKDM4EALDH1A1KMT2AGAA
SCHEMBL3725716 0.78 MAPT (0.59) MAPTKDM4EALDH1A1KMT2AGAA
SCHEMBL9836482 0.76 HPGD (0.58) MAPTKDM4EALDH1A1KMT2AGAA
SCHEMBL9836488 0.76 HPGD (0.58) MAPTKDM4EALDH1A1KMT2AGAA
SCHEMBL13891849 0.75 KMT2A (0.40) MAPTKDM4EALDH1A1KMT2AGAA

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-8716485-B2 Pyrazole synthesis by coupling of carboxylic acid derivatives and enamines WESTFÄLISHE WILHELMS-UNIVERSITÄT MÜNSTER (DE) 2014-05-06 US disclosed
US-20130012715-A1 PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES WESTFAELISCHE WILHELMS UNIVERSITAET MUENSTER (DE) 2013-01-10 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-20130012715-A1 PYRAZOLE SYNTHESIS BY COUPLING OF CARBOXYLIC ACID DERIVATIVES AND ENAMINES PC, ENO1, PDK2 MAPT 2522/4885KDM4E 3358/4885ALDH1A1 361/4885

“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.