SCHEMBL3533453

SCHEMBL3533453

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

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 1/20 0.46
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
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
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
POLB P06746 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
THRB P10828 2/20 0.41
LMNA P02545 2/20 0.41
NAMPT P43490 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
SCHEMBL3532079 0.96 AVPR2 (0.45) AVPR2MAPTGAAMEN1KMT2A
SCHEMBL3536120 0.93 AVPR2 (0.46) AVPR2NPC1RAB9ATHRBLMNA
SCHEMBL3540620 0.93 AVPR2 (0.46) AVPR2NPC1RAB9AMAPTMEN1
SCHEMBL3533405 0.93 AVPR2 (0.46) AVPR2NPC1RAB9APDE4APDE4B
SCHEMBL3534087 0.92 AVPR2 (0.45) AVPR2NPC1RAB9AMAPTGAA
SCHEMBL3531801 0.91 NAMPT (0.44) AVPR2NPC1RAB9AMAPTALDH1A1
SCHEMBL3539415 0.91 AVPR2 (0.44) AVPR2NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL3532148 0.89 AVPR2 (0.48) AVPR2NPC1RAB9APOLBNAMPT
SCHEMBL3537184 0.88 AVPR2 (0.47) AVPR2NPC1RAB9AMAPTALDH1A1
SCHEMBL3533374 0.87 AVPR2 (0.47) AVPR2MAPTALDH1A1THRBLMNA

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 31/4885NPC1 1520/4885RAB9A 3773/4885

“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.