SCHEMBL3553530

SCHEMBL3553530

Cc1cc(C(=O)N2Cc3ccc(C(=O)NCc4cccnc4)n3Cc3ccccc32)ccc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
AVPR1A P37288 2/20 0.43
AVPR2 P30518 4/20 0.43
NAMPT P43490 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ROCK2 O75116 1/20 0.41
PPARG P37231 1/20 0.41
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
GFER P55789 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
SCHEMBL3558686 0.95 NAMPT (0.46) HTTKMT2AAVPR1AAVPR2NAMPT
SCHEMBL3561715 0.95 AVPR2 (0.41) HTTKMT2AAVPR1AAVPR2NAMPT
SCHEMBL3553486 0.94 NPSR1 (0.42) HTTKMT2AAVPR1AAVPR2NAMPT
SCHEMBL3554172 0.93 NAMPT (0.42) HTTAVPR1AAVPR2NAMPTALDH1A1
SCHEMBL3553647 0.93 MAPK1 (0.41) HTTKMT2AAVPR1AAVPR2NAMPT
SCHEMBL3550256 0.92 USP2 (0.45) HTTKMT2AAVPR2NAMPTALDH1A1
SCHEMBL3559955 0.92 NAMPT (0.41) HTTNAMPTALDH1A1LMNASMN1; SMN2
SCHEMBL3550157 0.92 PTAFR (0.44) HTTAVPR2ALDH1A1SMN1; SMN2ROCK2
SCHEMBL3554047 0.91 EIF4E (0.43) HTTKMT2AAVPR1AAVPR2NAMPT
SCHEMBL3556720 0.91 AVPR1A (0.51) HTTKMT2AAVPR1AAVPR2NAMPT

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 HTT 2736/4885KMT2A 1322/4885AVPR1A 51/4885

“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.