SCHEMBL4946394

SCHEMBL4946394

Cc1cccc(CSc2nnc(CCCCC(=O)NCc3ccccc3)n2CCc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
ALDH1A1 P00352 5/20 0.47
NPSR1 Q6W5P4 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
GLA P06280 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP1A2 P05177 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
MAPK1 P28482 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45
POLB P06746 2/20 0.44
TSHR P16473 2/20 0.44
USP2 O75604 2/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL4942573 0.95 LMNA (0.48) MAPTALDH1A1NPSR1CYP3A4CYP2D6
SCHEMBL4944067 0.94 MAPT (0.49) MAPTALDH1A1NPSR1CYP3A4CYP2D6
SCHEMBL4946646 0.93 ALDH1A1 (0.50) MAPTALDH1A1NPSR1CYP3A4CYP2D6
SCHEMBL4947270 0.91 ALDH1A1 (0.48) MAPTALDH1A1NPSR1CYP3A4CYP2D6
SCHEMBL4938790 0.91 ALDH1A1 (0.45) MAPTALDH1A1CYP3A4CYP2D6CYP2C9
SCHEMBL4940145 0.90 HPGD (0.52) MAPTALDH1A1NPSR1MEN1KMT2A
SCHEMBL4946913 0.89 LMNA (0.49) MAPTALDH1A1NPSR1CYP3A4CYP2D6
SCHEMBL4938167 0.89 MEN1 (0.58) MAPTALDH1A1NPSR1CYP3A4CYP2D6
SCHEMBL4943736 0.88 ALDH1A1 (0.52) MAPTALDH1A1NPSR1CYP3A4CYP2D6
SCHEMBL4947259 0.87 GLA (0.53) MAPTALDH1A1NPSR1CYP3A4CYP2D6

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-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
WO-2003053437-A1 TRIAZOLES AS OXYTOCIN ANTAGONISTS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-07-03 WO 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 MAPT 3974/4885ALDH1A1 4091/4885NPSR1 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.