SCHEMBL4944669

SCHEMBL4944669

Cc1ccc(CSc2nnc(CCCCC(=O)NCC3CCCO3)n2-c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
TSHR P16473 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
NPSR1 Q6W5P4 2/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
RECQL P46063 1/20 0.49
HPGD P15428 2/20 0.49
HTT P42858 1/20 0.49
ALOX15 P16050 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KDM4E B2RXH2 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
PABPC1 P11940 1/20 0.47
TP53 P04637 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL4937939 0.93 ALDH1A1 (0.59) ALDH1A1TSHRSMN1; SMN2NPSR1LMNA
SCHEMBL4943422 0.92 ALDH1A1 (0.50) ALDH1A1TSHRSMN1; SMN2NPSR1RECQL
SCHEMBL4940140 0.88 RECQL (0.51) ALDH1A1TSHRSMN1; SMN2NPSR1LMNA
SCHEMBL4945493 0.87 ALDH1A1 (0.53) ALDH1A1TSHRSMN1; SMN2NPSR1LMNA
SCHEMBL4945645 0.84 ALDH1A1 (0.50) ALDH1A1TSHRSMN1; SMN2NPSR1HPGD
SCHEMBL4942943 0.83 ALDH1A1 (0.52) ALDH1A1TSHRSMN1; SMN2LMNAHPGD
SCHEMBL4943477 0.82 ALDH1A1 (0.55) ALDH1A1TSHRSMN1; SMN2NPSR1LMNA
SCHEMBL4943624 0.81 ALDH1A1 (0.51) ALDH1A1TSHRSMN1; SMN2NPSR1HPGD
SCHEMBL4944602 0.81 MEN1 (0.48) ALDH1A1SMN1; SMN2NPSR1LMNAPOLB
SCHEMBL4946237 0.80 ALDH1A1 (0.46) ALDH1A1TSHRSMN1; SMN2NPSR1LMNA

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 4091/4885TSHR 148/4885SMN1; 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.