SCHEMBL3558000

SCHEMBL3558000

O=C(NCc1cccnc1)c1ccc2n1Cc1ccccc1N(C(=O)c1ccccn1)C2

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.54
VNN1 O95497 1/20 0.43
USP2 O75604 1/20 0.42
MMP13 P45452 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 2/20 0.41
GLS O94925 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
ALOX15 P16050 1/20 0.39
NR4A1 P22736 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 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
SCHEMBL3553868 0.93 POLB (0.48) HTTVNN1USP2MMP13LMNA
SCHEMBL3550414 0.88 STAT3 (0.48) HTTVNN1USP2LMNASMN1; SMN2
SCHEMBL3554440 0.88 USP2 (0.47) HTTVNN1USP2LMNASMN1; SMN2
SCHEMBL3550048 0.88 VNN1 (0.47) HTTVNN1USP2LMNASMN1; SMN2
SCHEMBL3552829 0.87 AVPR1A (0.45) HTTVNN1USP2LMNASMN1; SMN2
SCHEMBL3550441 0.87 USP2 (0.46) HTTVNN1USP2LMNASMN1; SMN2
SCHEMBL3555877 0.87 USP2 (0.46) HTTUSP2LMNASMN1; SMN2ALDH1A1
SCHEMBL3558499 0.87 AVPR1A (0.43) HTTVNN1USP2LMNASMN1; SMN2
SCHEMBL3553322 0.86 POLB (0.48) HTTUSP2LMNASMN1; SMN2POLB
SCHEMBL3551142 0.86 AVPR1A (0.47) HTTVNN1USP2MMP13LMNA

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 2736/4885VNN1 4445/4885USP2 2723/4885

“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.