SCHEMBL3554127

SCHEMBL3554127

CC(C)C(=O)c1ccccc1-c1ccc(C(=O)N2Cc3ccc(C(=O)NCc4cccnc4)n3Cc3ccccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
KMT2A Q03164 1/20 0.45
AVPR2 P30518 9/20 0.42
AVPR1A P37288 3/20 0.41
PPARG P37231 1/20 0.41
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
USP2 O75604 1/20 0.39
NAMPT P43490 1/20 0.39
VNN1 O95497 1/20 0.39

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
SCHEMBL3552426 0.92 HTT (0.47) HTTKMT2AAVPR2AVPR1APPARG
SCHEMBL3552714 0.92 HTT (0.49) HTTKMT2AAVPR2AVPR1APPARG
SCHEMBL3552037 0.91 HTT (0.50) HTTKMT2AAVPR2AVPR1APPARG
SCHEMBL3550260 0.91 KMT2A (0.46) HTTKMT2AAVPR2AVPR1APPARG
SCHEMBL3553244 0.90 HTT (0.45) HTTKMT2AAVPR2AVPR1APPARG
SCHEMBL3553030 0.90 HTT (0.49) HTTKMT2AAVPR2AVPR1APPARG
SCHEMBL3555235 0.90 AVPR1A (0.42) HTTKMT2AAVPR2AVPR1ALMNA
SCHEMBL3550605 0.90 AVPR1A (0.43) HTTKMT2AAVPR2AVPR1ALMNA
SCHEMBL3550434 0.89 AVPR1A (0.42) HTTKMT2AAVPR2AVPR1ALMNA
SCHEMBL3556720 0.89 AVPR1A (0.51) HTTKMT2AAVPR2AVPR1APPARG

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 HTT 2736/4885KMT2A 1322/4885AVPR2 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.