SCHEMBL3556842

SCHEMBL3556842

CCNC(=O)Cc1ccccc1-c1ccc(C(=O)N2Cc3ccc(C(=O)NCc4cccnc4)n3Cc3ccccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 4/20 0.41
LMNA P02545 2/20 0.40
AVPR2 P30518 5/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 1/20 0.39
PKM P14618 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NAMPT P43490 3/20 0.39
VNN1 O95497 1/20 0.38
DRD2 P14416 2/20 0.37
DRD3 P35462 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTR1A P08908 1/20 0.36
HTR7 P34969 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL3558928 0.94 AVPR1A (0.41) AVPR1ALMNAAVPR2HTTKMT2A
SCHEMBL3550902 0.92 AVPR1A (0.42) AVPR1ALMNAAVPR2HTTKMT2A
SCHEMBL3550605 0.92 AVPR1A (0.43) AVPR1ALMNAAVPR2HTTKMT2A
SCHEMBL3558246 0.91 AVPR1A (0.40) AVPR1ALMNAAVPR2HTTKMT2A
SCHEMBL3552200 0.91 AVPR1A (0.41) AVPR1ALMNAAVPR2HTTKMT2A
SCHEMBL3558534 0.91 AVPR1A (0.44) AVPR1ALMNAAVPR2HTTKMT2A
SCHEMBL3555191 0.91 AVPR1A (0.42) AVPR1ALMNAAVPR2HTTKMT2A
SCHEMBL3554054 0.90 AVPR1A (0.41) AVPR1ALMNAAVPR2HTTKMT2A
SCHEMBL3554197 0.89 AVPR1A (0.41) AVPR1ALMNAAVPR2HTTKMT2A
SCHEMBL3553480 0.89 AVPR1A (0.51) AVPR1ALMNAAVPR2HTTKMT2A

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 AVPR1A 51/4885LMNA 4827/4885AVPR2 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.