SCHEMBL4946913

SCHEMBL4946913

Cc1cc(C)cc(CSc2nnc(CCCCC(=O)NCc3ccc(F)cc3)n2CCc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
ALDH1A1 P00352 4/20 0.46
MAPK1 P28482 3/20 0.46
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GLA P06280 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 2/20 0.45
SSTR4 P31391 1/20 0.45
SSTR3 P32745 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
TP53 P04637 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 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
SCHEMBL4944067 0.95 MAPT (0.49) ALDH1A1MAPK1ALOX15HSD17B10GLA
SCHEMBL4942573 0.94 LMNA (0.48) LMNAALDH1A1MAPK1ALOX15HSD17B10
SCHEMBL4947259 0.93 GLA (0.53) LMNAALDH1A1MAPK1ALOX15HSD17B10
SCHEMBL4943736 0.90 ALDH1A1 (0.52) LMNAALDH1A1HSD17B10TDP1GLA
SCHEMBL4946394 0.89 MAPT (0.49) LMNAALDH1A1MAPK1HSD17B10GLA
SCHEMBL4943430 0.89 LMNA (0.49) LMNAALDH1A1MAPK1ALOX15HSD17B10
SCHEMBL4944627 0.88 KMT2A (0.48) ALDH1A1ALOX15CYP3A4CYP2C9CYP2C19
SCHEMBL4947194 0.88 RXFP1 (0.52) LMNAALDH1A1MAPTRXFP1L3MBTL1
SCHEMBL4943001 0.88 ALDH1A1 (0.49) LMNAALDH1A1MAPK1ALOX15HSD17B10
SCHEMBL4946150 0.87 LMNA (0.51) LMNAALDH1A1MAPK1ALOX15HSD17B10

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 LMNA 3028/4885ALDH1A1 4091/4885MAPK1 3521/4885

“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.