SCHEMBL3553480

SCHEMBL3553480

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

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 3/20 0.51
AVPR2 P30518 8/20 0.46
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NAMPT P43490 3/20 0.39
VNN1 O95497 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PKM P14618 1/20 0.38
GAA P10253 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL3550605 0.93 AVPR1A (0.43) AVPR1AAVPR2HTTKMT2ALMNA
SCHEMBL3558534 0.91 AVPR1A (0.44) AVPR1AAVPR2HTTKMT2ALMNA
SCHEMBL3555191 0.91 AVPR1A (0.42) AVPR1AAVPR2HTTKMT2ALMNA
SCHEMBL3554054 0.90 AVPR1A (0.41) AVPR1AAVPR2HTTKMT2ALMNA
SCHEMBL3554197 0.90 AVPR1A (0.41) AVPR1AAVPR2HTTKMT2ALMNA
SCHEMBL3558928 0.90 AVPR1A (0.41) AVPR1AAVPR2HTTKMT2ALMNA
SCHEMBL3550902 0.90 AVPR1A (0.42) AVPR1AAVPR2HTTKMT2ALMNA
SCHEMBL3556842 0.89 AVPR1A (0.41) AVPR1AAVPR2HTTKMT2ALMNA
SCHEMBL3558246 0.89 AVPR1A (0.40) AVPR1AAVPR2HTTKMT2ALMNA
SCHEMBL3554118 0.89 AVPR1A (0.40) AVPR1AAVPR2HTTKMT2ALMNA

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 51/4885AVPR2 26/4885HTT 2736/4885

“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.