SCHEMBL4944467

SCHEMBL4944467

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
ALDH1A2 O94788 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 4/20 0.43
CYP2D6 P10635 2/20 0.42
CYP2C19 P33261 2/20 0.42
TSHR P16473 1/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ALOX15 P16050 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL4941949 0.91 HPGD (0.46) ALDH1A1SMN1; SMN2NPSR1CYP2D6CYP2C19
SCHEMBL4946333 0.89 HPGD (0.47) ALDH1A1SMN1; SMN2NPSR1CYP2D6CYP2C19
SCHEMBL4944895 0.89 ALDH1A1 (0.48) ALDH1A1ALDH1A2SMN1; SMN2NPSR1CYP2D6
SCHEMBL4946377 0.88 ALDH1A1 (0.47) ALDH1A1ALDH1A2SMN1; SMN2NPSR1CYP2D6
SCHEMBL4944589 0.85 ALDH1A1 (0.49) ALDH1A1ALDH1A2SMN1; SMN2NPSR1TSHR
SCHEMBL4946812 0.83 TSHR (0.54) ALDH1A1ALDH1A2SMN1; SMN2NPSR1TSHR
SCHEMBL4944749 0.81 HPGD (0.49) ALDH1A1ALDH1A2SMN1; SMN2NPSR1HPGD
SCHEMBL4945462 0.80 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2NPSR1CYP2D6CYP2C19
SCHEMBL4944226 0.80 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2NPSR1CYP2D6CYP2C19
SCHEMBL8346427 0.80 ALDH1A1 (0.45) ALDH1A1ALDH1A2SMN1; SMN2NPSR1CYP2D6

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 4091/4885ALDH1A2 2693/4885SMN1; 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.