SCHEMBL314832

SCHEMBL314832

Cc1cc(CC(=O)NNC(=O)O)on1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VHL P40337 2/20 0.65
P2RX7 Q99572 1/20 0.45
HCAR2 Q8TDS4 1/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EPHX2 P34913 2/20 0.44
IDO1 P14902 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 2/20 0.41
USP2 O75604 1/20 0.40
CCNE1 P24864 4/20 0.39
CDK2 P24941 4/20 0.39
GSK3B P49841 3/20 0.39
RAB9A P51151 1/20 0.38

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
SCHEMBL14310605 0.83 VHL (0.69) VHLP2RX7HCAR2ALDH1A1SMN1; SMN2
SCHEMBL2828248 0.81 VHL (0.67) VHLP2RX7HCAR2ALDH1A1SMN1; SMN2
SCHEMBL10189863 0.81 VHL (0.55) VHLP2RX7ALDH1A1SMN1; SMN2IDO1
SCHEMBL6251 0.80 VHL (0.60) VHLP2RX7HCAR2ALDH1A1SMN1; SMN2
SCHEMBL23866627 0.80 VHL (0.65) VHLP2RX7HCAR2ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL314902 0.80 VHL (0.65) VHLP2RX7HCAR2ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL1375734 0.79 VHL (0.58) VHLP2RX7HCAR2ALDH1A1SMN1; SMN2
SCHEMBL21661625 0.79 VHL (1.00) VHLP2RX7ALDH1A1SMN1; SMN2IDO1
SCHEMBL23331085 0.79 VHL (0.63) VHLP2RX7HCAR2ALDH1A1SMN1; SMN2
SCHEMBL3452361 0.78 VHL (0.58) VHLP2RX7SMN1; SMN2EPHX2IDO1

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-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
EP-1701959-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2006-09-20 EP disclosed
WO-2005063754-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2005-07-14 WO disclosed
US-20050154024-A1 Compounds useful in therapy PFIZER INC 2005-07-14 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 (2 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-20050154024-A1 Compounds useful in therapy PTGER4, PTGER3, ALOX5 VHL 2018/4885P2RX7 2186/4885HCAR2 80/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 VHL 961/4885P2RX7 288/4885HCAR2 653/4885

“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.