SCHEMBL4946352

SCHEMBL4946352

COc1ccccc1CNC(=O)CCc1nnc(SCc2ccc(F)cc2)n1-c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
TP53 P04637 1/20 0.51
NPSR1 Q6W5P4 4/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.49
MAPK1 P28482 4/20 0.48
HSD17B10 Q99714 1/20 0.48
GPBAR1 Q8TDU6 1/20 0.48
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
THRB P10828 1/20 0.45

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
SCHEMBL4943688 0.97 NPSR1 (0.54) MAPTTP53NPSR1ALDH1A1MEN1
SCHEMBL4940658 0.93 NPSR1 (0.49) MAPTTP53NPSR1ALDH1A1LMNA
SCHEMBL4937973 0.92 ALDH1A1 (0.48) MAPTTP53NPSR1ALDH1A1LMNA
SCHEMBL4937656 0.92 ALDH1A1 (0.52) MAPTTP53NPSR1ALDH1A1MEN1
SCHEMBL4942880 0.92 KMT2A (0.51) MAPTTP53NPSR1ALDH1A1MEN1
SCHEMBL4944216 0.91 TP53 (0.47) MAPTTP53NPSR1ALDH1A1MEN1
SCHEMBL4942583 0.91 NPSR1 (0.47) MAPTTP53NPSR1ALDH1A1SMN1; SMN2
SCHEMBL4945711 0.90 L3MBTL1 (0.55) MAPTNPSR1ALDH1A1MEN1KMT2A
SCHEMBL4946305 0.90 TP53 (0.52) MAPTTP53NPSR1ALDH1A1SMN1; SMN2
SCHEMBL4945464 0.89 ALDH1A1 (0.47) MAPTTP53NPSR1ALDH1A1SMN1; 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 MAPT 3974/4885TP53 4351/4885NPSR1 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.