SCHEMBL20133924

SCHEMBL20133924

Nc1ccc(NCc2cccs2)cc1N=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
PTPN1 P18031 1/20 0.50
PTPN11 Q06124 1/20 0.50
KDM4E B2RXH2 11/20 0.49
ALDH1A1 P00352 8/20 0.49
MAPT P10636 7/20 0.49
GAA P10253 6/20 0.49
NPC1 O15118 7/20 0.44
RAB9A P51151 6/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
HTT P42858 2/20 0.44
TSHR P16473 1/20 0.43
POLB P06746 3/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HPGD P15428 3/20 0.42
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP1A2 P05177 2/20 0.42

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
SCHEMBL6297863 0.78 L3MBTL1 (0.54) L3MBTL1PTPN1PTPN11KDM4EALDH1A1
Hydrochloric Acid SCHEMBL6304504 0.77 KDM4E (0.55) L3MBTL1PTPN1PTPN11KDM4EALDH1A1
SCHEMBL17749098 0.76 PKM (0.53) L3MBTL1PTPN1PTPN11KDM4EALDH1A1
SCHEMBL20133962 0.76 TRPM5 (0.50) PTPN1PTPN11GAACYP2C19ALOX12
SCHEMBL6297762 0.74 L3MBTL1 (0.52) L3MBTL1PTPN1PTPN11KDM4EALDH1A1
SCHEMBL456924 0.74 L3MBTL1 (0.69) L3MBTL1PTPN1PTPN11KDM4EALDH1A1
SCHEMBL1417373 0.73 L3MBTL1 (0.54) L3MBTL1PTPN1PTPN11KDM4EALDH1A1
Hydrochloric Acid SCHEMBL6298739 0.73 L3MBTL1 (0.51) L3MBTL1PTPN1PTPN11KDM4EALDH1A1
Hydrochloric Acid SCHEMBL6298735 0.72 L3MBTL1 (0.67) L3MBTL1PTPN1PTPN11KDM4EALDH1A1
Hydrochloric Acid SCHEMBL456056 0.72 KDM4E (0.55) L3MBTL1PTPN1PTPN11KDM4EALDH1A1

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-20180127357-A1 (2-AMINO-4-(ARYLAMINO)PHENYL) CARBAMATES UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-05-10 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-20180127357-A1 (2-AMINO-4-(ARYLAMINO)PHENYL) CARBAMATES HRH4, H1-10, HDAC10 L3MBTL1 1531/4885PTPN1 1619/4885PTPN11 690/4885

“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.