SCHEMBL3380448

SCHEMBL3380448

NC(=O)c1ccccc1-c1ccc(-n2ccnc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
KMT2A Q03164 1/20 0.56
CYP3A4 P08684 3/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
MAPK1 P28482 1/20 0.55
CYP2C19 P33261 1/20 0.55
ADH5 P11766 8/20 0.54
DHODH Q02127 1/20 0.53
BCAT2 O15382 1/20 0.53
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPC1 O15118 1/20 0.49
CASP3 P42574 1/20 0.49
SENP8 Q96LD8 1/20 0.49
SENP7 Q9BQF6 1/20 0.49
SENP6 Q9GZR1 1/20 0.49

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
SCHEMBL3204344 0.82 ADH5 (0.52) MEN1ALOX15TSHRKMT2ACYP3A4
SCHEMBL3806974 0.82 CYP1A2 (0.47) MEN1ALOX15TSHRKMT2ACYP3A4
SCHEMBL13739918 0.80 CYP3A4 (0.54) MEN1ALOX15TSHRKMT2ACYP3A4
SCHEMBL6126537 0.79 ADH5 (0.55) CYP3A4CYP1A2CYP2D6MAPK1CYP2C19
SCHEMBL5852215 0.78 DHODH (0.54) MEN1ALOX15TSHRKMT2ACYP3A4
SCHEMBL11957613 0.77 CYP19A1 (0.60) CYP3A4CYP1A2CYP2D6BCAT2MAPT
Carbamic Acid SCHEMBL9800710 0.77 CYP3A4 (0.78) MEN1ALOX15TSHRKMT2ACYP3A4
SCHEMBL5878337 0.76 BCAT2 (0.87) MEN1TSHRKMT2ABCAT2RAB9A
SCHEMBL7364258 0.76 IDO1 (0.57) MEN1ALOX15TSHRKMT2ACYP3A4
SCHEMBL3377969 0.76 BCAT2 (0.54) MAPK1BCAT2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447033-B2 Potassium channel blockers JAPAN TOBACCO INC. (JP) 2016-09-20 US disclosed
US-20150259282-A1 Potassium Channel Blockers XENTION LIMITED (GB) 2015-09-17 US disclosed
US-9073834-B2 Potassium channel blockers XENTION LIMITED (GB) 2015-07-07 US disclosed
US-20140221337-A1 Potassium Channel Blockers XENTION LIMITED (GB) 2014-08-07 US disclosed
US-8673901-B2 Potassium channel blockers XENTION LIMITED (GB) 2014-03-18 US disclosed
US-20100087428-A1 Novel Potassium Channel Blockers XENTION LIMITED (GB) 2010-04-08 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 (3 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-20140221337-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 MEN1 608/4885ALOX15 4680/4885TSHR 809/4885
US-20100087428-A1 Novel Potassium Channel Blockers HCN4, SCN2B, KCNH2 MEN1 2747/4885ALOX15 1602/4885TSHR 174/4885
US-20150259282-A1 Potassium Channel Blockers KCNJ2, KCNH2, KCNB1 MEN1 608/4885ALOX15 4680/4885TSHR 809/4885

“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.