SCHEMBL3553647

SCHEMBL3553647

Cc1cc(C(=O)N2Cc3ccc(C(=O)NCc4cccnc4)n3Cc3ccccc32)ccc1-c1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.41
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AVPR2 P30518 3/20 0.39
ROCK2 O75116 2/20 0.39
USP2 O75604 1/20 0.39
NAMPT P43490 1/20 0.39
AVPR1A P37288 1/20 0.38
PTGER1 P34995 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) HTTKDM4EALDH1A1MAPTKMT2A
SCHEMBL3553530 0.93 HTT (0.43) HTTKDM4EALDH1A1MAPTKMT2A
SCHEMBL3554047 0.92 EIF4E (0.43) HTTMEN1KMT2ALMNANPSR1
SCHEMBL3550157 0.90 PTAFR (0.44) MAPK1HTTKDM4EALDH1A1GAA
SCHEMBL3558686 0.90 NAMPT (0.46) HTTKDM4EALDH1A1GAAMAPT
SCHEMBL3554157 0.89 DGAT2 (0.44) MAPK1HTTKDM4EMEN1ALDH1A1
SCHEMBL3561715 0.89 AVPR2 (0.41) HTTKDM4EALDH1A1GAAKMT2A
SCHEMBL3559955 0.89 NAMPT (0.41) HTTKDM4EALDH1A1GAALMNA
SCHEMBL3550201 0.89 SMN1; SMN2 (0.42) HTTKDM4EALDH1A1KMT2ALMNA
SCHEMBL3554172 0.89 NAMPT (0.42) HTTKDM4EALDH1A1GAALMNA

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 MAPK1 1851/4885HTT 2736/4885KDM4E 879/4885

“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.