SCHEMBL16242599

SCHEMBL16242599

Cc1ccccc1C(Sc1ccccc1N)Sc1ccccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
TDP1 Q9NUW8 4/20 0.43
KMT2A Q03164 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
CYP3A4 P08684 3/20 0.43
MEN1 O00255 2/20 0.43
APOBEC3G Q9HC16 2/20 0.43
MAP2K1 Q02750 1/20 0.41
ESR1 P03372 1/20 0.39
KDM4E B2RXH2 3/20 0.39
CD44 P16070 1/20 0.38
MAPK1 P28482 1/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34

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
SCHEMBL11385640 0.73 MAPT (0.46) MAPTTDP1KMT2ANPSR1CYP3A4
SCHEMBL1014289 0.71 MAPT (0.54) MAPTTDP1KMT2ANPSR1CYP3A4
SCHEMBL540557 0.71 MAPT (0.54) MAPTTDP1KMT2ANPSR1CYP3A4
SCHEMBL16602223 0.70 MAPT (0.73) MAPTTDP1KMT2ANPSR1CYP3A4
SCHEMBL3859717 0.70 CYP3A4 (0.52) MAPTTDP1KMT2ANPSR1CYP3A4
Hydrochloric Acid SCHEMBL19896479 0.70 MAPT (0.52) MAPTTDP1KMT2ANPSR1CYP3A4
SCHEMBL17879583 0.69 MAPT (0.46) MAPTTDP1KMT2ANPSR1CYP3A4
SCHEMBL28598261 0.69 ESR1 (0.50) MAPTTDP1NPSR1CYP3A4ESR1
SCHEMBL17879577 0.68 MAPT (0.50) MAPTTDP1KMT2ANPSR1CYP3A4
SCHEMBL9018894 0.67 MAPT (0.54) MAPTTDP1KMT2ANPSR1CYP3A4

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-20140348880-A1 Ortho-Aminothiophenol Compounds and Uses Thereof UNIV CAPE BRETON (CA) 2014-11-27 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-20140348880-A1 Ortho-Aminothiophenol Compounds and Uses Thereof TPMT, ALPI, CYP4F2 MAPT 1076/4885TDP1 2738/4885KMT2A 1458/4885

“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.