SCHEMBL4334785

SCHEMBL4334785

Cc1ccc2c(c1)C(=O)/C(=C\c1c(C)[nH]c3ccc([N+](=O)[O-])cc13)S2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
POLB P06746 2/20 0.41
PKM P14618 1/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
MAPT P10636 4/20 0.39
LMNA P02545 3/20 0.39
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
GAA P10253 3/20 0.38
KDM4E B2RXH2 1/20 0.38
CTSV O60911 2/20 0.38
CTSL P07711 2/20 0.38
PARP1 P09874 1/20 0.38
HTR2A P28223 1/20 0.38
HTR6 P50406 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
SCHEMBL1429310 1.00 ALDH1A1 (0.41) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL4097065 0.78 IGF1R (0.54) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL4097067 0.78 IGF1R (0.54) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL13846638 0.78 IGF1R (0.54) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL29958160 0.72 MAPT (0.54) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL1121664 0.72 MAPT (0.54) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL1429523 0.70 PTGS2 (0.42) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL4325923 0.70 PTGS2 (0.42) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL1428586 0.70 MAOB (0.48) ALDH1A1MEN1KMT2APOLBPKM
SCHEMBL4318830 0.70 MAOB (0.48) ALDH1A1MEN1KMT2APOLBPKM

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-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-17 US claimed
US-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-12-17 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-20090311217-A1 3-SUBSTITUTED-1H-INDOLE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES MTOR, RICTOR, PDPK1 ALDH1A1 2736/4885MEN1 827/4885KMT2A 1721/4885

“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.