SCHEMBL4945462

SCHEMBL4945462

C=CCNC(=O)CCc1nnc(SCc2cccc(Cl)c2)n1-c1cccc(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
MAPT P10636 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
LMNA P02545 3/20 0.48
HTT P42858 1/20 0.48
GLA P06280 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TLR8 Q9NR97 2/20 0.43
KMT2A Q03164 1/20 0.42
PAX8 Q06710 1/20 0.42
GAA P10253 1/20 0.41
TSHR P16473 2/20 0.41
PKM P14618 1/20 0.41
METAP2 P50579 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL4945456 0.92 TLR8 (0.44) ALDH1A1MAPTNPSR1LMNAHTT
SCHEMBL4944997 0.90 TLR8 (0.48) ALDH1A1MAPTNPSR1LMNAGLA
SCHEMBL4945743 0.89 TLR8 (0.47) ALDH1A1MAPTNPSR1LMNAGLA
SCHEMBL4941949 0.88 HPGD (0.46) ALDH1A1MAPTNPSR1LMNAHTT
SCHEMBL4944195 0.87 ALDH1A1 (0.49) ALDH1A1MAPTNPSR1LMNAHTT
SCHEMBL4943454 0.87 ALDH1A1 (0.48) ALDH1A1MAPTNPSR1LMNAHTT
SCHEMBL4944991 0.86 ALDH1A1 (0.47) ALDH1A1MAPTNPSR1LMNAHTT
SCHEMBL4946276 0.86 TLR8 (0.46) ALDH1A1MAPTNPSR1LMNAHTT
SCHEMBL4943341 0.85 ALDH1A1 (0.56) ALDH1A1MAPTNPSR1LMNAHTT
SCHEMBL4942070 0.85 CYP1A2 (0.49) ALDH1A1MAPTNPSR1LMNAHTT

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 4091/4885MAPT 3974/4885NPSR1 17/4885

“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.