SCHEMBL3532079

SCHEMBL3532079

COc1ccc(CCNC(=O)c2ccc3n2Cc2ccccc2N(C(=O)c2ccc(-c4ccccc4C)c(C)c2)C3)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 1/20 0.45
MAPT P10636 7/20 0.42
GAA P10253 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
POLB P06746 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
THRB P10828 2/20 0.41
LMNA P02545 2/20 0.41
NAMPT P43490 2/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
AGTR1 P30556 1/20 0.41
AGTR2 P50052 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
SCHEMBL3533453 0.96 AVPR2 (0.46) AVPR2MAPTGAAMEN1KMT2A
SCHEMBL3536119 0.91 NAMPT (0.44) AVPR2MAPTSMN1; SMN2LMNANAMPT
SCHEMBL3536120 0.90 AVPR2 (0.46) AVPR2THRBLMNA
SCHEMBL3533015 0.89 AVPR2 (0.43) AVPR2MAPTPOLBTDP1THRB
SCHEMBL3534857 0.89 AVPR2 (0.46) AVPR2MAPTGAAALDH1A1SMN1; SMN2
SCHEMBL3533405 0.89 AVPR2 (0.46) AVPR2NAMPT
SCHEMBL3540620 0.89 AVPR2 (0.46) AVPR2MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3533308 0.89 AVPR2 (0.42) AVPR2NAMPT
SCHEMBL3534087 0.88 AVPR2 (0.45) AVPR2MAPTGAANAMPT
SCHEMBL3536084 0.88 AVPR2 (0.42) AVPR2MAPTGAATHRBNAMPT

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-7691848-B2 Pyrrolobenzodiazepine arylcarboxamides and derivatives thereof as follicle-stimulating hormone receptor antagonists WYETH (US) 2010-04-06 US claimed
US-20060199806-A1 Pyrrolobenzodiazepine arylcarboxamides and derivatives thereof as follicle-stimulating hormone receptor antagonists WYETH (US) 2006-09-07 US claimed
US-7691848-B2 Pyrrolobenzodiazepine arylcarboxamides and derivatives thereof as follicle-stimulating hormone receptor antagonists WYETH (US) 2010-04-06 US disclosed
US-20060199806-A1 Pyrrolobenzodiazepine arylcarboxamides and derivatives thereof as follicle-stimulating hormone receptor antagonists WYETH (US) 2006-09-07 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-20060199806-A1 Pyrrolobenzodiazepine arylcarboxamides and derivatives thereof as follicle-stimulating hormone receptor antagonists FSHR, GNRHR, LHCGR AVPR2 31/4885MAPT 4643/4885GAA 4640/4885

“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.