SCHEMBL4944639

SCHEMBL4944639

O=C(CCCCc1nnc(SCc2cccc(Cl)c2)n1CCc1ccccc1)NCC1CCCO1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
NPSR1 Q6W5P4 1/20 0.54
LMNA P02545 2/20 0.48
KDM4E B2RXH2 4/20 0.46
TSHR P16473 1/20 0.45
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 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
SCHEMBL4945493 0.90 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL4944426 0.88 KMT2A (0.49) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL4945645 0.88 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL4940140 0.88 RECQL (0.51) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL4943624 0.85 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL4944742 0.83 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2KMT2ALMNATSHR
SCHEMBL4940135 0.82 KMT2A (0.51) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL4947206 0.82 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MEN1KMT2ALMNA
SCHEMBL4943422 0.81 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL4943001 0.81 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1

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 8 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
WO-2003053437-A1 TRIAZOLES AS OXYTOCIN ANTAGONISTS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-07-03 WO 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 4091/4885SMN1; SMN2 3497/4885MEN1 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.