SCHEMBL4782173

SCHEMBL4782173

N#Cc1cccc(NC(=NO)c2csnn2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
CYP3A4 P08684 3/20 0.53
TSHR P16473 2/20 0.53
CYP2D6 P10635 1/20 0.53
MAPK1 P28482 1/20 0.53
USP2 O75604 1/20 0.48
NSD2 O96028 1/20 0.47
GRM4 Q14833 1/20 0.47
THRB P10828 2/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
IDO1 P14902 1/20 0.43
BLM P54132 1/20 0.42
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 3/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL4782169 1.00 ALDH1A1 (0.53) ALDH1A1CYP3A4TSHRCYP2D6MAPK1
SCHEMBL14169360 0.82 CYP3A4 (0.55) ALDH1A1CYP3A4TSHRCYP2D6MAPK1
SCHEMBL4781688 0.79 GRM4 (0.49) ALDH1A1CYP3A4TSHRCYP2D6MAPK1
SCHEMBL6815904 0.79 ALDH1A1 (0.59) ALDH1A1CYP3A4TSHRCYP2D6MAPK1
SCHEMBL4782177 0.75 ALDH1A1 (0.41) ALDH1A1CYP3A4TSHRCYP2D6MAPK1
SCHEMBL4782703 0.72 LMNA (0.48) ALDH1A1TSHRTHRBMAPTMEN1
SCHEMBL4782707 0.72 LMNA (0.48) ALDH1A1TSHRTHRBMAPTMEN1
SCHEMBL4727828 0.71 ALDH1A1 (0.47) ALDH1A1NSD2GRM4MAPTMEN1
SCHEMBL4727832 0.71 ALDH1A1 (0.47) ALDH1A1NSD2GRM4MAPTMEN1
SCHEMBL4729476 0.70 ALDH1A1 (0.49) ALDH1A1MAPK1NSD2GRM4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080146624-A1 AMIDINES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-06-19 US claimed
WO-2008036652-A2 AMIDINES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-03-27 WO claimed
US-20080146624-A1 AMIDINES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-06-19 US disclosed
US-20080146624-A1 AMIDINES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-06-19 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-20080146624-A1 AMIDINES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT ALDH1A1 2238/4885CYP3A4 268/4885TSHR 1375/4885

“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.