SCHEMBL13388590

SCHEMBL13388590

COc1cc2ccccc2cc1N(C(N)=O)c1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 1/20 0.47
AHR P35869 1/20 0.47
HPGD P15428 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPT P10636 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 3/20 0.39
LMNA P02545 3/20 0.38
TP53 P04637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL6834975 0.87 PARP10 (0.43) KMT2AMEN1POLBHPGDALDH1A1
SCHEMBL13388527 0.84 ALDH1A1 (0.39) KMT2AMEN1POLBAHRHPGD
SCHEMBL13388901 0.81 ALDH1A1 (0.38) KMT2APOLBHPGDALDH1A1KDM4E
SCHEMBL4585313 0.81 LMNA (0.54) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL7244019 0.81 TSHR (0.44) KMT2AMEN1HPGDALDH1A1KDM4E
SCHEMBL5608496 0.81 KDM4E (0.40) KMT2AMEN1POLBHPGDALDH1A1
SCHEMBL13388175 0.79 ALDH1A1 (0.41) KMT2AMEN1POLBAHRHPGD
SCHEMBL13388556 0.78 PARP15 (0.44) KMT2AMEN1HPGDALDH1A1KDM4E
SCHEMBL8167884 0.78 ALDH1A1 (0.36) KMT2AMEN1HPGDALDH1A1MAPT
SCHEMBL27517610 0.77 NPC1 (0.46) KMT2AMEN1POLBHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270878-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER HEALTHERCARE LLC (US) 2012-10-25 US claimed

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-20120270878-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS MAP2K2, MAPK1, MAP2K1 KMT2A 2870/4885MEN1 4566/4885POLB 2038/4885

“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.