SCHEMBL3554147

SCHEMBL3554147

CC(C)(C)c1ccc(C(=O)N2Cc3ccc(C(=O)NCc4cccnc4)n3Cc3ccccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.56
ALDH1A1 P00352 4/20 0.56
MAPT P10636 3/20 0.56
HTT P42858 2/20 0.56
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.49
GAA P10253 3/20 0.49
HPGD P15428 1/20 0.49
ALOX12 P18054 1/20 0.49
NAMPT P43490 3/20 0.45
RAB9A P51151 2/20 0.44
MAPK1 P28482 2/20 0.44
NPC1 O15118 1/20 0.44
AVPR1A P37288 1/20 0.42
THRB P10828 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
VNN1 O95497 1/20 0.41

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
SCHEMBL3556132 0.92 SMN1; SMN2 (0.45) LMNAALDH1A1MAPTHTTMEN1
SCHEMBL3554592 0.91 NAMPT (0.52) LMNAALDH1A1MAPTHTTKMT2A
SCHEMBL3554440 0.91 USP2 (0.47) LMNAALDH1A1MAPTHTTKMT2A
SCHEMBL3557245 0.90 NAMPT (0.47) LMNAHTTSMN1; SMN2GAANAMPT
SCHEMBL3552792 0.90 USP2 (0.47) LMNAALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL3550048 0.90 VNN1 (0.47) LMNAALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL3553644 0.89 GAA (0.45) LMNAALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL3553460 0.89 AVPR1A (0.52) LMNAALDH1A1MAPTHTTKMT2A
SCHEMBL3554744 0.89 NAMPT (0.47) LMNAALDH1A1MAPTHTTSMN1; SMN2
SCHEMBL3559289 0.89 KMT2A (0.48) LMNAALDH1A1MAPTHTTKMT2A

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 LMNA 4827/4885ALDH1A1 4219/4885MAPT 4716/4885

“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.