SCHEMBL4945692

SCHEMBL4945692

O=C(CCc1nnc(SCc2cccc(F)c2)n1-c1ccc(Cl)cc1)NCCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
TP53 P04637 3/20 0.53
TAAR1 Q96RJ0 1/20 0.53
MAPT P10636 5/20 0.52
LMNA P02545 3/20 0.52
GAA P10253 2/20 0.51
ALOX15 P16050 1/20 0.51
HPGD P15428 2/20 0.46
USP2 O75604 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ABCB1 P08183 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
ALDH1A2 O94788 1/20 0.44
ALDH1A3 P47895 1/20 0.44

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
SCHEMBL4943438 0.92 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2NPSR1TP53MAPT
SCHEMBL4946318 0.91 TP53 (0.53) ALDH1A1SMN1; SMN2NPSR1TP53TAAR1
SCHEMBL4944773 0.90 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2NPSR1MAPTLMNA
SCHEMBL4944881 0.88 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2NPSR1TP53TAAR1
SCHEMBL4941175 0.87 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2NPSR1TP53TAAR1
SCHEMBL4946351 0.87 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2NPSR1MAPTLMNA
SCHEMBL4943492 0.87 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2NPSR1MAPTLMNA
SCHEMBL4946355 0.87 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2NPSR1TP53MAPT
SCHEMBL4947320 0.84 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2NPSR1TP53TAAR1
SCHEMBL4945761 0.83 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2NPSR1MAPTLMNA

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 4091/4885SMN1; SMN2 3497/4885NPSR1 17/4885

“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.