SCHEMBL316042

SCHEMBL316042

O=C(O)N1CCCN(C(=S)Nc2ccc(Cl)cc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.74
LMNA P02545 5/20 0.72
NPSR1 Q6W5P4 1/20 0.59
HTT P42858 1/20 0.59
ALDH1A1 P00352 2/20 0.58
GLA P06280 2/20 0.58
CYP2C19 P33261 2/20 0.55
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
CYP1A2 P05177 1/20 0.54
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.52

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
SCHEMBL10189872 0.80 MEN1 (0.64) SMN1; SMN2LMNANPSR1HTTALDH1A1
SCHEMBL20237000 0.80 CA12 (0.64) SMN1; SMN2LMNAALDH1A1GAAMAPT
SCHEMBL14119932 0.78 LMNA (1.00) SMN1; SMN2LMNANPSR1HTTALDH1A1
SCHEMBL4715420 0.76 KMT2A (0.61) SMN1; SMN2LMNANPSR1HTTALDH1A1
SCHEMBL315591 0.75 MGLL (0.51) SMN1; SMN2LMNAMAPTKMT2ARAB9A
SCHEMBL4877647 0.74 SMN1; SMN2 (0.71) SMN1; SMN2LMNANPSR1HTTALDH1A1
SCHEMBL2677804 0.73 KMT2A (0.71) SMN1; SMN2LMNANPSR1ALDH1A1GAA
SCHEMBL4874554 0.73 SMN1; SMN2 (0.69) SMN1; SMN2LMNANPSR1HTTALDH1A1
SCHEMBL10596224 0.73 MAPT (0.69) SMN1; SMN2LMNANPSR1HTTALDH1A1
SCHEMBL11179944 0.72 ALDH1A1 (0.96) SMN1; SMN2LMNANPSR1ALDH1A1GLA

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 SMN1; SMN2 3508/4885LMNA 2443/4885NPSR1 258/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 SMN1; SMN2 4519/4885LMNA 1738/4885NPSR1 172/4885

“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.