SCHEMBL4945306

SCHEMBL4945306

C=CCn1c(CCC(=O)NCc2ccccc2)nnc1SCc1cccc(C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
ALDH1A1 P00352 7/20 0.59
CYP2D6 P10635 4/20 0.59
CYP2C9 P11712 4/20 0.59
CYP2C19 P33261 4/20 0.59
CYP3A4 P08684 3/20 0.59
GAA P10253 2/20 0.59
NPSR1 Q6W5P4 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 2/20 0.51
CYP1A2 P05177 2/20 0.51
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
GLA P06280 1/20 0.47
KDM4E B2RXH2 1/20 0.46
PTGES O14684 1/20 0.45
MAPK1 P28482 1/20 0.45
USP2 O75604 1/20 0.45
ESR1 P03372 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
SCHEMBL4938167 0.94 MEN1 (0.58) MEN1KMT2AALDH1A1CYP2D6CYP2C9
SCHEMBL4947006 0.89 MEN1 (0.49) MEN1KMT2AALDH1A1CYP2D6CYP2C9
SCHEMBL6626940 0.88 ALDH1A1 (0.56) MEN1KMT2AALDH1A1CYP2D6CYP2C9
SCHEMBL4945055 0.88 MEN1 (0.53) MEN1KMT2AALDH1A1CYP2D6CYP2C9
SCHEMBL4945324 0.83 MEN1 (0.58) MEN1KMT2AALDH1A1CYP2D6CYP2C9
SCHEMBL4941427 0.83 MEN1 (0.47) MEN1KMT2AALDH1A1CYP2D6CYP2C9
SCHEMBL4941157 0.83 KMT2A (0.56) MEN1KMT2AALDH1A1GAANPSR1
SCHEMBL4946394 0.82 MAPT (0.49) MEN1KMT2AALDH1A1CYP2D6CYP2C9
SCHEMBL4943956 0.81 ALDH1A1 (0.55) MEN1KMT2AALDH1A1CYP2D6CYP2C9
SCHEMBL4938932 0.80 L3MBTL1 (0.51) MEN1KMT2AALDH1A1CYP2D6CYP2C9

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 7 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
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 4770/4885ALDH1A1 4091/4885

“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.