SCHEMBL3553400

SCHEMBL3553400

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 5/20 0.41
KMT2A Q03164 2/20 0.39
HTT P42858 2/20 0.39
PKM P14618 2/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
AVPR2 P30518 6/20 0.39
NAMPT P43490 2/20 0.39
MAPK1 P28482 1/20 0.38
DRD2 P14416 2/20 0.37
DRD3 P35462 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
VNN1 O95497 1/20 0.37
OXTR P30559 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL3550434 0.93 AVPR1A (0.42) AVPR1AKMT2AHTTPKMLMNA
SCHEMBL3555235 0.92 AVPR1A (0.42) AVPR1AKMT2AHTTPKMLMNA
SCHEMBL3552939 0.91 AVPR1A (0.41) AVPR1AKMT2AHTTPKMLMNA
SCHEMBL3552140 0.90 AVPR1A (0.43) AVPR1AKMT2AHTTPKMLMNA
SCHEMBL3556720 0.88 AVPR1A (0.51) AVPR1AKMT2AHTTPKMLMNA
SCHEMBL3560078 0.88 LMNA (0.44) AVPR1AKMT2AHTTPKMLMNA
SCHEMBL3553986 0.87 AVPR1A (0.43) AVPR1AKMT2AHTTPKMLMNA
SCHEMBL3550605 0.87 AVPR1A (0.43) AVPR1AKMT2AHTTPKMLMNA
SCHEMBL3552714 0.87 HTT (0.49) AVPR1AKMT2AHTTLMNASMN1; SMN2
SCHEMBL3552426 0.87 HTT (0.47) AVPR1AKMT2AHTTLMNASMN1; SMN2

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 AVPR1A 51/4885KMT2A 1322/4885HTT 2736/4885

“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.