SCHEMBL4941995

SCHEMBL4941995

O=C(CCCCc1nnc(SCc2ccccc2F)n1-c1cccc(Cl)c1)NCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
NPSR1 Q6W5P4 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 2/20 0.49
GLA P06280 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.45
MAPK1 P28482 1/20 0.45
TLR8 Q9NR97 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
RECQL P46063 1/20 0.42
TP53 P04637 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL4937666 0.95 SMN1; SMN2 (0.46) ALDH1A1NPSR1SMN1; SMN2MAPTGLA
SCHEMBL4944687 0.91 ALDH1A1 (0.57) ALDH1A1NPSR1SMN1; SMN2MAPTGLA
SCHEMBL4944579 0.90 ALDH1A1 (0.56) ALDH1A1NPSR1SMN1; SMN2MAPTGLA
SCHEMBL4943455 0.90 ALDH1A1 (0.53) ALDH1A1NPSR1SMN1; SMN2MAPTGLA
SCHEMBL4947045 0.90 ALDH1A1 (0.56) ALDH1A1NPSR1SMN1; SMN2MAPTGLA
SCHEMBL4944049 0.90 ALDH1A1 (0.49) ALDH1A1NPSR1SMN1; SMN2MAPTGLA
SCHEMBL4940113 0.89 ALDH1A1 (0.52) ALDH1A1NPSR1SMN1; SMN2MAPTGLA
SCHEMBL4941361 0.88 ALDH1A1 (0.45) ALDH1A1NPSR1MAPTTLR8KDM4E
SCHEMBL4947203 0.88 ALDH1A1 (0.58) ALDH1A1NPSR1SMN1; SMN2MAPTGLA
SCHEMBL4937992 0.88 ALDH1A1 (0.58) ALDH1A1NPSR1SMN1; SMN2MAPTGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7468385-B2 Triazoles as oxytocin antagonists LABORATOIRES SERONO SA (CH) 2008-12-23 US claimed
EP-1458381-B1 TRIAZOLES AS OXYTOCIN ANTAGONISTS APPLIED RESEARCH SYSTEMS (AN) 2005-11-30 EP claimed
US-20050187275-A1 Triazoles as oxytocin antagonists APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-08-25 US claimed
US-7468385-B2 Triazoles as oxytocin antagonists LABORATOIRES SERONO SA (CH) 2008-12-23 US disclosed
US-7468385-B2 Triazoles as oxytocin antagonists LABORATOIRES SERONO SA (CH) 2008-12-23 US disclosed
US-7468385-B2 Triazoles as oxytocin antagonists LABORATOIRES SERONO SA (CH) 2008-12-23 US disclosed
US-20050187275-A1 Triazoles as oxytocin antagonists APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-08-25 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 (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-20050187275-A1 Triazoles as oxytocin antagonists OXTR, AVPR2, AVPR1B ALDH1A1 4091/4885NPSR1 17/4885SMN1; SMN2 3497/4885

“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.