SCHEMBL3074425

SCHEMBL3074425

O=C(/C=N\O)Nc1ccc(Cl)cc1Cl

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.72
EGFR P00533 1/20 0.56
TP53 P04637 1/20 0.54
MAPT P10636 2/20 0.50
NPC1 O15118 2/20 0.49
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 2/20 0.47
RAB9A P51151 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
ALDH1A1 P00352 2/20 0.47
PDK1 Q15118 1/20 0.47
PDK2 Q15119 1/20 0.47
PDK3 Q15120 1/20 0.47
PDK4 Q16654 1/20 0.47
USP2 O75604 1/20 0.47
HPGD P15428 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CYP1A2 P05177 1/20 0.46

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
SCHEMBL3074427 1.00 MAPK1 (0.72) MAPK1EGFRTP53MAPTNPC1
SCHEMBL2060824 0.84 KMT2A (0.57) MAPK1MEN1KMT2ANPSR1ALDH1A1
SCHEMBL7677592 0.84 KMT2A (0.57) MAPK1MEN1KMT2ANPSR1ALDH1A1
SCHEMBL25356392 0.84 MAPK1 (1.00) MAPK1TP53MAPTNPC1POLB
SCHEMBL23251378 0.84 MAPK1 (1.00) MAPK1TP53MAPTNPC1POLB
SCHEMBL25356142 0.84 MAPK1 (0.68) MAPK1EGFRTP53MAPTNPC1
SCHEMBL2060823 0.84 KMT2A (0.57) MAPK1MEN1KMT2ANPSR1ALDH1A1
SCHEMBL20504662 0.82 MAPK1 (0.66) MAPK1EGFRTP53MAPTNPC1
SCHEMBL20504663 0.82 MAPK1 (0.66) MAPK1EGFRTP53MAPTNPC1
SCHEMBL12529037 0.81 MAPK1 (0.78) MAPK1MAPTPOLBKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060247442-A1 Process for preparing isatins with control of side-product formation WYETH (US) 2006-11-02 US claimed
US-20100221445-A1 O-DESMETHYLVENLAFAXINE AND BAZEDOXIFENE COMBINATION PRODUCT AND USES THEREOF WYETH LLC (US) 2010-09-02 US disclosed
US-20060247442-A1 Process for preparing isatins with control of side-product formation WYETH (US) 2006-11-02 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 (2 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-20100221445-A1 O-DESMETHYLVENLAFAXINE AND BAZEDOXIFENE COMBINATION PRODUCT AND USES THEREOF CYP19A1, HSD17B11, SLC6A4 MAPK1 2967/4885EGFR 531/4885TP53 4833/4885
US-20060247442-A1 Process for preparing isatins with control of side-product formation NISCH, HASPIN, INMT MAPK1 4078/4885EGFR 3300/4885TP53 706/4885

“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.