SCHEMBL3558228

SCHEMBL3558228

CC(C)(C)c1cc(C(=O)N2Cc3ccc(C(=O)NCc4cccnc4)n3Cc3ccccc32)ccc1-c1ccccc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.43
PPARG P37231 1/20 0.41
AVPR2 P30518 3/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.39
MAPK1 P28482 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ROCK2 O75116 1/20 0.38
DRD2 P14416 2/20 0.37
DRD3 P35462 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NAMPT P43490 1/20 0.37

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
SCHEMBL3550256 0.92 USP2 (0.45) USP2PPARGAVPR2HTTALDH1A1
SCHEMBL3552037 0.87 HTT (0.50) USP2PPARGAVPR2HTTALDH1A1
SCHEMBL3553328 0.87 AVPR2 (0.40) USP2PPARGAVPR2HTTLMNA
SCHEMBL3554172 0.86 NAMPT (0.42) AVPR2HTTALDH1A1LMNAGAA
SCHEMBL3559762 0.85 CYP1A2 (0.40) AVPR2HTTALDH1A1LMNAMAPT
SCHEMBL3553530 0.85 HTT (0.43) PPARGAVPR2HTTALDH1A1LMNA
SCHEMBL3558068 0.84 ROCK2 (0.44) HTTALDH1A1LMNAMAPTKMT2A
SCHEMBL3554147 0.84 LMNA (0.56) HTTALDH1A1LMNAMAPTKMT2A
SCHEMBL3552792 0.84 USP2 (0.47) USP2HTTALDH1A1LMNAMAPT
SCHEMBL3555113 0.83 NAMPT (0.40) AVPR2ALDH1A1LMNAGAAPKM

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 6 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
EP-1893615-A1 PYRROLOBENZODIAZEPINE PYRIDINE CARBOXAMIDES AND DERIVATIVES AS FOLLICLE-STIMULATING HORMONE RECEPTOR ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2008-03-05 EP claimed
US-20060287522-A1 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists WYETH (US) 2006-12-21 US claimed
WO-2006135687-A1 PYRROLOBENZODIAZEPINE PYRIDINE CARBOXAMIDES AND DERIVATIVES AS FOLLICLE-STIMULATING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-12-21 WO 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 USP2 2723/4885PPARG 187/4885AVPR2 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.