SCHEMBL4621241

SCHEMBL4621241

CN(C)/C=C1/CN(c2nnc(Cn3nccn3)n2-c2ccc(Cl)cc2)CC1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 1/20 0.34
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
MEN1 O00255 4/20 0.32
ALDH1A1 P00352 4/20 0.32
KMT2A Q03164 4/20 0.32
USP2 O75604 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2D6 P10635 2/20 0.32
CASP1 P29466 2/20 0.32
CASP7 P55210 2/20 0.32
HIF1A Q16665 2/20 0.32
HSD17B10 Q99714 2/20 0.32
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL8257461 1.00 AMY1A (0.34) AMY1ANPC1HPGDRAB9AMEN1
SCHEMBL4623311 1.00 AMY1A (0.34) AMY1ANPC1HPGDRAB9AMEN1
SCHEMBL14066259 0.92 AMY1A (0.33) AMY1ANPC1HPGDRAB9AMEN1
SCHEMBL4679284 0.92 AMY1A (0.33) AMY1ANPC1HPGDRAB9AMEN1
SCHEMBL4679270 0.92 AMY1A (0.33) AMY1ANPC1HPGDRAB9AMEN1
SCHEMBL4619490 0.77 TRPA1 (0.39) NPC1HPGDRAB9AMEN1ALDH1A1
SCHEMBL4624366 0.76 TRPA1 (0.34) HPGDMEN1ALDH1A1KMT2AUSP2
SCHEMBL4622389 0.76 TRPA1 (0.38) HPGDMEN1ALDH1A1KMT2AUSP2
SCHEMBL4740390 0.73 TRPA1 (0.30)
SCHEMBL4887345 0.71 TIPARP (0.36) MEN1KMT2AUSP2CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234252-A1 Compounds Useful in Therapy PFIZER INC 2008-09-25 US disclosed
EP-1885713-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2008-02-13 EP disclosed
WO-2006123242-A1 1, 2, 4 -TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2006-11-23 WO 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-20080234252-A1 Compounds Useful in Therapy AVPR1A, AVPR1B, AVPR2 AMY1A 1816/4885NPC1 1204/4885HPGD 1056/4885

“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.