SCHEMBL3550260

SCHEMBL3550260

COC(=O)c1ccccc1-c1ccc(C(=O)N2Cc3ccc(C(=O)NCc4cccnc4)n3Cc3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
HTT P42858 1/20 0.46
AVPR2 P30518 5/20 0.45
AVPR1A P37288 2/20 0.42
TSHR P16473 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PPARG P37231 1/20 0.41
BDKRB1 P46663 1/20 0.41
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
USP2 O75604 1/20 0.40
NAMPT P43490 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL3553445 0.93 HTT (0.43) KMT2AHTTAVPR2AVPR1AALDH1A1
SCHEMBL3552714 0.93 HTT (0.49) KMT2AHTTAVPR2AVPR1AALDH1A1
SCHEMBL3552426 0.93 HTT (0.47) KMT2AHTTAVPR2AVPR1APPARG
SCHEMBL3552037 0.92 HTT (0.50) KMT2AHTTAVPR2AVPR1AALDH1A1
SCHEMBL3553644 0.91 GAA (0.45) HTTAVPR1ATSHRALDH1A1HPGD
SCHEMBL3553244 0.91 HTT (0.45) KMT2AHTTAVPR2AVPR1ATSHR
SCHEMBL3554127 0.91 HTT (0.45) KMT2AHTTAVPR2AVPR1APPARG
SCHEMBL3553030 0.90 HTT (0.49) KMT2AHTTAVPR2AVPR1ATSHR
SCHEMBL3553453 0.90 AVPR2 (0.48) KMT2AHTTAVPR2AVPR1ATSHR
SCHEMBL3556720 0.89 AVPR1A (0.51) KMT2AHTTAVPR2AVPR1ATSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678787-B2 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists WYETH (US) 2010-03-16 US claimed
US-20060287522-A1 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists WYETH (US) 2006-12-21 US claimed
US-7678787-B2 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists WYETH (US) 2010-03-16 US disclosed
US-20060287522-A1 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists WYETH (US) 2006-12-21 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-20060287522-A1 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists FSHR, GNRHR, PRLHR KMT2A 1322/4885HTT 2736/4885AVPR2 26/4885

“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.