SCHEMBL4943944

SCHEMBL4943944

Cc1cc(C)cc(CSc2nnc(CCC(=O)NCC3CCCO3)n2-c2cccc(Cl)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TSHR P16473 3/20 0.48
ALOX15 P16050 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 2/20 0.45
RECQL P46063 1/20 0.44
CYP3A4 P08684 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
SCHEMBL4947028 0.95 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL4945490 0.91 KMT2A (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL4943422 0.89 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL4943624 0.88 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL4945645 0.87 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL4937939 0.87 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL8348830 0.85 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL4942943 0.84 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL4945493 0.84 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ASMN1; SMN2TSHR
SCHEMBL4943360 0.83 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ASMN1; SMN2TSHR

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 4091/4885MEN1 3430/4885KMT2A 4770/4885

“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.