SCHEMBL3554047

SCHEMBL3554047

Cc1cc(C(=O)N2Cc3ccc(C(=O)NCc4cccnc4)n3Cc3ccccc32)ccc1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 1/20 0.43
AVPR2 P30518 3/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
NAMPT P43490 1/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
AVPR1A P37288 1/20 0.38
PPARG P37231 1/20 0.38
ROCK2 O75116 1/20 0.38
MEN1 O00255 1/20 0.38
S1PR4 O95977 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
S1PR1 P21453 1/20 0.38
HTT P42858 1/20 0.38
PAX8 Q06710 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
DGAT2 Q96PD7 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
SCHEMBL3553486 0.93 NPSR1 (0.42) AVPR2LMNASMN1; SMN2NAMPTKMT2A
SCHEMBL3553647 0.92 MAPK1 (0.41) AVPR2LMNASMN1; SMN2NAMPTKMT2A
SCHEMBL3558686 0.92 NAMPT (0.46) AVPR2LMNASMN1; SMN2NAMPTKMT2A
SCHEMBL3553530 0.91 HTT (0.43) AVPR2LMNASMN1; SMN2NAMPTKMT2A
SCHEMBL3561715 0.91 AVPR2 (0.41) AVPR2LMNASMN1; SMN2NAMPTKMT2A
SCHEMBL3554157 0.91 DGAT2 (0.44) AVPR2LMNASMN1; SMN2NAMPTKMT2A
SCHEMBL3553821 0.91 LMNA (0.45) AVPR2LMNASMN1; SMN2NAMPTKMT2A
SCHEMBL3554172 0.89 NAMPT (0.42) AVPR2LMNASMN1; SMN2NAMPTAVPR1A
SCHEMBL3559955 0.88 NAMPT (0.41) LMNASMN1; SMN2NAMPTROCK2HPGD
SCHEMBL3550157 0.88 PTAFR (0.44) AVPR2SMN1; SMN2ROCK2TP53HTT

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 EIF4E 1295/4885AVPR2 26/4885LMNA 4827/4885

“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.