SCHEMBL3557205

SCHEMBL3557205

COc1ccc(C(=O)N2Cc3ccc(C(=O)NCc4cccnc4)n3Cc3ccccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.56
LMNA P02545 4/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPK1 P28482 1/20 0.45
DHODH Q02127 1/20 0.44
MMP13 P45452 1/20 0.44
USP2 O75604 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL3553644 0.93 GAA (0.45) GAALMNAALDH1A1SMN1; SMN2MAPK1
SCHEMBL3554746 0.92 MMP13 (0.48) GAALMNAALDH1A1SMN1; SMN2MAPK1
SCHEMBL3557400 0.91 GAA (0.48) GAALMNAALDH1A1SMN1; SMN2MEN1
SCHEMBL3554592 0.91 NAMPT (0.52) GAALMNAALDH1A1SMN1; SMN2KMT2A
SCHEMBL3554440 0.91 USP2 (0.47) LMNAALDH1A1SMN1; SMN2KMT2AMAPK1
SCHEMBL3557245 0.90 NAMPT (0.47) GAALMNASMN1; SMN2USP2NPSR1
SCHEMBL3552792 0.90 USP2 (0.47) GAALMNAALDH1A1SMN1; SMN2USP2
SCHEMBL3550048 0.90 VNN1 (0.47) LMNAALDH1A1SMN1; SMN2USP2HPGD
SCHEMBL3553514 0.90 NAMPT (0.43) GAALMNAALDH1A1SMN1; SMN2MAPK1
SCHEMBL3553453 0.89 AVPR2 (0.48) GAALMNAALDH1A1SMN1; SMN2KMT2A

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
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
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 GAA 4783/4885LMNA 4827/4885ALDH1A1 4219/4885

“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.