SCHEMBL12433671

SCHEMBL12433671

Cc1ccc2c(c1)Sc1cc(C)ccc1N2c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.43
KMT2A Q03164 7/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HSD17B10 Q99714 1/20 0.39
DRD3 P35462 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRM3 P20309 1/20 0.38
SLC6A2 P23975 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
HTR2B P41595 1/20 0.38
NOX1 Q9Y5S8 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL13203010 0.95 KMT2A (0.45) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL12374358 0.89 ELANE (0.43) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL16773498 0.86 HDAC6 (0.43) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL12433655 0.85 NPC1 (0.40) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL22045006 0.85 MEN1 (0.37) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL11978698 0.84 HDAC6 (0.44) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL17278632 0.83 L3MBTL1 (0.41) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL19785013 0.82 BCHE (0.42) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL28576668 0.82 ALDH1A1 (0.40) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL9405092 0.81 HDAC6 (0.43) MEN1KMT2ACYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150372333-A1 NON-AQUEOUS REDOX FLOW BATTERIES INCLUDING 3,7-PERFLUOROALKYLATED PHENOTHIAZINE DERIVATIVES UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2015-12-24 US disclosed
US-7982212-B2 Copolymer and polymer light emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-19 US disclosed
US-7982212-B2 Copolymer and polymer light emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-07-19 US disclosed
US-20100176376-A1 COPOLYMER AND POLYMER LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY , LIMITED (JP) 2010-07-15 US disclosed
US-20100176376-A1 COPOLYMER AND POLYMER LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY , LIMITED (JP) 2010-07-15 US disclosed
US-20080129192-A1 ORGANIC LIGHT EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2008-06-05 US disclosed
US-20080129192-A1 ORGANIC LIGHT EMITTING DEVICE CANON KABUSHIKI KAISHA (JP) 2008-06-05 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-20150372333-A1 NON-AQUEOUS REDOX FLOW BATTERIES INCLUDING 3,7-PERFLUOROALKYLATED PHENOTHIAZINE DERIVATIVES GPX4, VDAC3, AQP1 MEN1 4440/4885KMT2A 2575/4885CYP1A2 365/4885

“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.