SCHEMBL4944384

SCHEMBL4944384

COc1cccc(-n2c(CCCC(=O)NCc3ccc(F)cc3)nnc2SCc2cc(C)cc(C)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
LMNA P02545 2/20 0.50
NPSR1 Q6W5P4 3/20 0.47
MAPT P10636 2/20 0.46
USP2 O75604 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALOX15 P16050 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
THRB P10828 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RXFP1 Q9HBX9 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
SCHEMBL4946328 0.94 ALDH1A1 (0.52) ALDH1A1LMNANPSR1MAPTUSP2
SCHEMBL4944788 0.91 ALDH1A1 (0.53) ALDH1A1LMNANPSR1MAPTALOX15
SCHEMBL4940177 0.89 ALDH1A1 (0.50) ALDH1A1LMNANPSR1MAPTALOX15
SCHEMBL4937987 0.89 ALDH1A1 (0.50) ALDH1A1LMNANPSR1MAPTHPGD
SCHEMBL4938033 0.89 ALDH1A1 (0.54) ALDH1A1LMNANPSR1MAPTUSP2
SCHEMBL4942023 0.88 HPGD (0.48) ALDH1A1LMNANPSR1MAPTUSP2
SCHEMBL4945036 0.88 ALDH1A1 (0.56) ALDH1A1LMNANPSR1MAPTUSP2
SCHEMBL4947171 0.87 TSHR (0.48) ALDH1A1NPSR1MAPTUSP2HPGD
SCHEMBL4943640 0.87 ALDH1A1 (0.51) ALDH1A1LMNANPSR1MAPTHPGD
SCHEMBL4941966 0.86 TSHR (0.58) ALDH1A1LMNANPSR1MAPTUSP2

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 4091/4885LMNA 3028/4885NPSR1 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.