SCHEMBL4943640

SCHEMBL4943640

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
HPGD P15428 1/20 0.48
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPT P10636 2/20 0.44
THRB P10828 1/20 0.44
LMNA P02545 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
GPBAR1 Q8TDU6 1/20 0.43
ALOX15 P16050 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTR7 P34969 1/20 0.43
TP53 P04637 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
SCHEMBL4937656 0.95 ALDH1A1 (0.52) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL4944749 0.94 HPGD (0.49) ALDH1A1HPGDSMN1; SMN2NPSR1MAPT
SCHEMBL4938181 0.91 TP53 (0.46) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL4942023 0.91 HPGD (0.48) ALDH1A1HPGDMEN1KMT2ANPSR1
SCHEMBL4942880 0.91 KMT2A (0.51) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL4945700 0.90 HPGD (0.49) ALDH1A1HPGDMEN1KMT2ANPSR1
SCHEMBL4946428 0.90 NPSR1 (0.52) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL13992255 0.89 HPGD (0.49) ALDH1A1HPGDSMN1; SMN2NPSR1MAPT
SCHEMBL4945331 0.89 ALDH1A1 (0.54) ALDH1A1HPGDKMT2ASMN1; SMN2NPSR1
SCHEMBL4944589 0.89 ALDH1A1 (0.49) ALDH1A1HPGDSMN1; SMN2NPSR1MAPT

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 4091/4885HPGD 561/4885MEN1 3430/4885

“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.