SCHEMBL4944699

SCHEMBL4944699

COCCCn1c(CCC(=O)NCc2ccccc2OC)nnc1SCC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 7/20 0.49
HTT P42858 3/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL4938852 0.88 POLB (0.52) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL8346419 0.86 POLB (0.48) POLBMEN1KMT2AALDH1A1HTT
SCHEMBL4941360 0.85 POLB (0.51) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL4944931 0.85 POLB (0.51) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL4945336 0.84 POLB (0.55) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL4937706 0.83 POLB (0.49) POLBALDH1A1MAPTHPGDL3MBTL1
SCHEMBL4943851 0.82 TP53 (0.49) POLBALDH1A1HTTMAPTKDM4E
SCHEMBL4941925 0.82 POLB (0.48) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL4944428 0.80 POLB (0.53) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL4942955 0.79 POLB (0.52) POLBHTTMAPTLMNAHPGD

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 5 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

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 POLB 4439/4885MEN1 3430/4885KMT2A 4770/4885

“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.