SCHEMBL315037

SCHEMBL315037

O=C(O)c1cccc(CSc2ncccn2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.68
HTT P42858 1/20 0.68
RAB9A P51151 3/20 0.60
HSD17B10 Q99714 1/20 0.59
AR P10275 1/20 0.55
MRGPRX4 Q96LA9 1/20 0.55
LMNA P02545 1/20 0.54
RXFP1 Q9HBX9 1/20 0.53
POLB P06746 1/20 0.52
GPR55 Q9Y2T6 1/20 0.52
FOLH1 Q04609 1/20 0.51
HPGD P15428 2/20 0.51
MAPT P10636 2/20 0.51
NPC1 O15118 2/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 1/20 0.51
ACMSD Q8TDX5 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MIF P14174 1/20 0.51

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
SCHEMBL1750521 0.82 POLB (0.69) SMN1; SMN2RAB9AHSD17B10LMNAPOLB
SCHEMBL6347118 0.79 SMN1; SMN2 (0.60) SMN1; SMN2HTTRAB9AHSD17B10AR
SCHEMBL12581571 0.79 APEX1 (0.65) SMN1; SMN2HTTRAB9AHSD17B10AR
SCHEMBL39630 0.78 FOLH1 (0.63) SMN1; SMN2HTTRAB9AHSD17B10AR
SCHEMBL6205843 0.76 POLB (0.65) SMN1; SMN2RAB9AHSD17B10LMNAPOLB
SCHEMBL1029180 0.75 HSD17B10 (1.00) SMN1; SMN2HTTRAB9AHSD17B10HPGD
SCHEMBL28544976 0.75 FOLH1 (0.59) SMN1; SMN2HTTRAB9AHSD17B10AR
SCHEMBL46936 0.75 FOLH1 (0.59) SMN1; SMN2HTTRAB9AARMRGPRX4
SCHEMBL27326766 0.75 FOLH1 (0.59) SMN1; SMN2HTTRAB9AARMRGPRX4
SCHEMBL9976790 0.75 FOLH1 (0.59) SMN1; SMN2HTTRAB9AHSD17B10AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785499-B2 Targeting NAD biosynthesis in bacterial pathogens UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-07-22 US disclosed
US-8785499-B2 Targeting NAD biosynthesis in bacterial pathogens UNIVERSITY OF MARYLAND, BALTIMORE (US) 2014-07-22 US disclosed
US-20120190708-A1 TARGETING NAD BIOSYNTHESIS IN BACTERIAL PATHOGENS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2012-07-26 US disclosed
US-20120190708-A1 TARGETING NAD BIOSYNTHESIS IN BACTERIAL PATHOGENS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2012-07-26 US disclosed
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 (3 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 3508/4885HTT 2270/4885RAB9A 3475/4885
US-20120190708-A1 TARGETING NAD BIOSYNTHESIS IN BACTERIAL PATHOGENS NAMPT, NAPRT, NADK SMN1; SMN2 4145/4885HTT 3439/4885RAB9A 2191/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 SMN1; SMN2 4519/4885HTT 3134/4885RAB9A 591/4885

“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.