SCHEMBL4944027

SCHEMBL4944027

CCCNC(=O)CCCCc1nnc(SCc2ccc(F)cc2Cl)n1CCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.45
ALDH1A1 P00352 3/20 0.42
ALOX15 P16050 2/20 0.42
MAPK1 P28482 2/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 1/20 0.41
THRB P10828 1/20 0.40
RXFP1 Q9HBX9 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
SCHEMBL13991705 0.90 LMNA (0.45) TP53ALDH1A1ALOX15MAPK1HSD17B10
SCHEMBL4947058 0.87 HPGD (0.51) TP53ALDH1A1ALOX15MAPK1HSD17B10
SCHEMBL4946871 0.87 ALDH1A1 (0.49) TP53ALDH1A1MAPK1HSD17B10LMNA
SCHEMBL4944742 0.85 ALDH1A1 (0.49) ALDH1A1KMT2ALMNASMN1; SMN2THRB
SCHEMBL4940157 0.84 LMNA (0.48) ALDH1A1KMT2ALMNASMN1; SMN2
SCHEMBL4947270 0.82 ALDH1A1 (0.48) TP53ALDH1A1KMT2ALMNAL3MBTL1
SCHEMBL4943430 0.78 LMNA (0.49) TP53ALDH1A1ALOX15MAPK1HSD17B10
SCHEMBL4946150 0.78 LMNA (0.51) TP53ALDH1A1ALOX15MAPK1HSD17B10
SCHEMBL4943001 0.78 ALDH1A1 (0.49) TP53ALDH1A1ALOX15MAPK1HSD17B10
SCHEMBL4944627 0.78 KMT2A (0.48) ALDH1A1ALOX15KMT2AL3MBTL1SMN1; SMN2

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-20050187275-A1 Triazoles as oxytocin antagonists APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-08-25 US disclosed
WO-2003053437-A1 TRIAZOLES AS OXYTOCIN ANTAGONISTS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-07-03 WO 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 TP53 4351/4885ALDH1A1 4091/4885ALOX15 1424/4885

“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.