SCHEMBL4944602

SCHEMBL4944602

Cc1ccc(CSc2nnc(CCCCC(=O)NCC(C)C)n2-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
TP53 P04637 1/20 0.48
ALDH1A1 P00352 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
GAA P10253 2/20 0.47
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 4/20 0.45
PTGES O14684 1/20 0.44
NPSR1 Q6W5P4 3/20 0.44
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
HDAC3 O15379 1/20 0.43
PTK2 Q05397 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 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
SCHEMBL4943795 0.92 ALDH1A1 (0.47) MEN1KMT2ATP53ALDH1A1L3MBTL1
SCHEMBL4945133 0.91 TLR8 (0.47) MEN1KMT2ATP53ALDH1A1HPGD
SCHEMBL4946923 0.90 GAA (0.52) MEN1KMT2ATP53ALDH1A1L3MBTL1
SCHEMBL4943477 0.89 ALDH1A1 (0.55) MEN1KMT2ATP53ALDH1A1L3MBTL1
SCHEMBL4941363 0.86 GLA (0.47) MEN1KMT2ATP53ALDH1A1L3MBTL1
SCHEMBL4942086 0.86 MEN1 (0.54) MEN1KMT2ATP53ALDH1A1L3MBTL1
SCHEMBL4946929 0.84 ALDH1A1 (0.62) MEN1KMT2AALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL4946575 0.84 TLR8 (0.47) KMT2AALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL8346469 0.84 ALDH1A1 (0.43) MEN1KMT2ATP53ALDH1A1L3MBTL1
SCHEMBL4944914 0.83 HPGD (0.51) MEN1KMT2ATP53ALDH1A1L3MBTL1

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 MEN1 3430/4885KMT2A 4770/4885TP53 4351/4885

“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.