SCHEMBL315591

SCHEMBL315591

O=C(O)N1CCC(C(=S)Nc2ccc(Cl)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.51
ALOX5 P09917 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 2/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
NFKB1 P19838 1/20 0.49
RAB9A P51151 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
IDO1 P14902 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 1/20 0.48
RHOC P08134 1/20 0.46
RHOA P61586 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL315809 0.85 MGLL (0.67) MGLLCYP3A4L3MBTL1KMT2ARHOC
SCHEMBL25191313 0.81 KMT2A (0.57) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL8284364 0.81 PTPN2 (0.65) MAPTNPC1TP53RAB9AL3MBTL1
SCHEMBL27577307 0.77 EPHX2 (0.72) SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL7303372 0.77 ALOX5 (0.68) ALOX5CYP3A4MAPTSMN1; SMN2LMNA
SCHEMBL27626141 0.76 POLB (0.61) ALOX5CYP3A4MAPTSMN1; SMN2LMNA
SCHEMBL316042 0.75 SMN1; SMN2 (0.74) MAPTSMN1; SMN2LMNANPC1RAB9A
SCHEMBL20237000 0.75 CA12 (0.64) ALOX5MAPTSMN1; SMN2LMNANPC1
SCHEMBL2518614 0.74 MGLL (0.77) MGLLMAPTKMT2A
SCHEMBL4971832 0.72 ALOX5 (0.55) MGLLALOX5CYP3A4MAPTSMN1; SMN2

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 MGLL 2004/4885ALOX5 3/4885CYP3A4 143/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 MGLL 4089/4885ALOX5 547/4885CYP3A4 824/4885

“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.