SCHEMBL4781693

SCHEMBL4781693

N#Cc1cc(NC(=NO)c2csnn2)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 4/20 0.49
BLM P54132 1/20 0.45
WRN Q14191 1/20 0.45
THRB P10828 2/20 0.40
LMNA P02545 2/20 0.36
TP53 P04637 3/20 0.36
ALDH1A1 P00352 5/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 3/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
AR P10275 1/20 0.34
MEN1 O00255 2/20 0.33

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
SCHEMBL4781688 1.00 GRM4 (0.49) GRM4BLMWRNTHRBLMNA
SCHEMBL14169484 0.84 GRM4 (0.50) GRM4BLMWRNTHRBLMNA
SCHEMBL4782707 0.81 LMNA (0.48) THRBLMNATP53ALDH1A1TSHR
SCHEMBL4782703 0.81 LMNA (0.48) THRBLMNATP53ALDH1A1TSHR
SCHEMBL4782173 0.79 ALDH1A1 (0.53) GRM4BLMTHRBLMNATP53
SCHEMBL4782169 0.79 ALDH1A1 (0.53) GRM4BLMTHRBLMNATP53
SCHEMBL4781696 0.78 IDO1 (0.45)
SCHEMBL30050843 0.76 GRM4 (0.46) GRM4BLMWRNABCG2AR
SCHEMBL4727448 0.72 GRM4 (0.48) GRM4BLMWRNABCG2AR
SCHEMBL4727441 0.72 GRM4 (0.48) GRM4BLMWRNABCG2AR

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 GRM4 489/4885BLM 3769/4885WRN 2625/4885

“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.