SCHEMBL4937987

SCHEMBL4937987

COc1cccc(-n2c(CCCC(=O)NCc3ccc(F)cc3)nnc2SCc2cccc(Cl)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
NPSR1 Q6W5P4 4/20 0.48
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.45
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CRHBP P24387 1/20 0.44
CYP2C19 P33261 1/20 0.44
CRHR2 Q13324 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 1/20 0.44
TLR8 Q9NR97 1/20 0.43
THRB P10828 1/20 0.43
ALOX15 P16050 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL4944918 0.95 ALDH1A1 (0.56) ALDH1A1NPSR1KMT2ALMNAHPGD
SCHEMBL4943328 0.94 ALDH1A1 (0.55) ALDH1A1NPSR1KMT2ALMNAHPGD
SCHEMBL4947066 0.94 ALDH1A1 (0.49) ALDH1A1NPSR1KMT2ALMNAMAPT
SCHEMBL4943986 0.93 ALDH1A1 (0.58) ALDH1A1NPSR1KMT2ALMNAHPGD
SCHEMBL4938169 0.91 ALDH1A1 (0.49) ALDH1A1NPSR1KMT2ALMNAMAPT
SCHEMBL4946328 0.90 ALDH1A1 (0.52) ALDH1A1NPSR1KMT2ALMNAHPGD
SCHEMBL4944384 0.89 ALDH1A1 (0.51) ALDH1A1NPSR1KMT2ALMNAHPGD
SCHEMBL4944788 0.89 ALDH1A1 (0.53) ALDH1A1NPSR1LMNAMAPTSMN1; SMN2
SCHEMBL4943926 0.89 LMNA (0.53) ALDH1A1NPSR1KMT2ALMNAMAPT
SCHEMBL4945331 0.89 ALDH1A1 (0.54) ALDH1A1NPSR1KMT2AHPGDMAPT

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 4091/4885NPSR1 17/4885KMT2A 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.