SCHEMBL4937656

SCHEMBL4937656

COc1cccc(-n2c(CCC(=O)NCc3ccccc3OC)nnc2SCc2ccc(F)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 2/20 0.45
THRB P10828 1/20 0.45
LMNA P02545 2/20 0.45
GPBAR1 Q8TDU6 1/20 0.44
ALOX15 P16050 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TP53 P04637 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 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
SCHEMBL4943640 0.95 ALDH1A1 (0.51) ALDH1A1KMT2ASMN1; SMN2MEN1NPSR1
SCHEMBL4946428 0.94 NPSR1 (0.52) ALDH1A1KMT2ASMN1; SMN2MEN1NPSR1
SCHEMBL4944589 0.94 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2NPSR1MAPTTHRB
SCHEMBL4944216 0.93 TP53 (0.47) ALDH1A1KMT2ASMN1; SMN2MEN1NPSR1
SCHEMBL4946352 0.92 MAPT (0.51) ALDH1A1KMT2ASMN1; SMN2MEN1NPSR1
SCHEMBL4944377 0.91 ALDH1A1 (0.49) ALDH1A1NPSR1MAPTTHRBTP53
SCHEMBL4942571 0.91 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2NPSR1MAPTLMNA
SCHEMBL4940554 0.90 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1NPSR1MAPT
SCHEMBL4943688 0.89 NPSR1 (0.54) ALDH1A1KMT2ASMN1; SMN2MEN1NPSR1
SCHEMBL4944749 0.89 HPGD (0.49) ALDH1A1SMN1; SMN2NPSR1MAPTTHRB

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 ALDH1A1 4091/4885KMT2A 4770/4885SMN1; SMN2 3497/4885

“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.