SCHEMBL4944812

SCHEMBL4944812

O=C(CCc1nnc(SCc2ccc(F)cc2Cl)n1-c1cccc(Cl)c1)NCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.49
GLA P06280 1/20 0.47
GAA P10253 2/20 0.46
ALOX15 P16050 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
TP53 P04637 2/20 0.44
TAAR1 Q96RJ0 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
MAPT P10636 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL4943706 0.89 ALDH1A1 (0.51) ALDH1A1GLAGAAALOX15LMNA
SCHEMBL4944049 0.87 ALDH1A1 (0.49) ALDH1A1GLALMNASMN1; SMN2NPSR1
SCHEMBL4946355 0.87 ALDH1A1 (0.58) ALDH1A1GLAGAALMNASMN1; SMN2
SCHEMBL4944343 0.86 ALDH1A1 (0.51) ALDH1A1GLAGAAALOX15LMNA
SCHEMBL4943860 0.85 ALDH1A1 (0.54) ALDH1A1GLAGAAALOX15LMNA
SCHEMBL4941175 0.85 ALDH1A1 (0.54) ALDH1A1GLAGAAALOX15LMNA
SCHEMBL4946372 0.83 ALDH1A1 (0.52) ALDH1A1GLAGAAALOX15LMNA
SCHEMBL4945692 0.83 ALDH1A1 (0.56) ALDH1A1GAAALOX15LMNASMN1; SMN2
SCHEMBL4943438 0.82 ALDH1A1 (0.58) ALDH1A1GLAGAAALOX15LMNA
SCHEMBL4940147 0.82 ALDH1A1 (0.59) ALDH1A1GLAGAALMNASMN1; 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 9 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
EP-1458381-A1 TRIAZOLES AS OXYTOCIN ANTAGONISTS Applied Research Systems ARS Holding N.V. (AN) 2004-09-22 EP claimed
WO-2003053437-A1 TRIAZOLES AS OXYTOCIN ANTAGONISTS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-07-03 WO 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 4091/4885GLA 4817/4885GAA 4843/4885

“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.