SCHEMBL732858

SCHEMBL732858

C1=Cn2c(cc3ccccc32)-c2ccccc2C1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
RECQL P46063 1/20 0.37
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
PKM P14618 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ADRA2A P08913 1/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30

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
SCHEMBL841837 0.82 RPS6KA3 (0.41) KMT2AKDM4EMEN1ALDH1A1NPC1
SCHEMBL3244153 0.81 SRD5A2 (0.43) KMT2AKDM4EMEN1ALDH1A1HPGD
SCHEMBL4826623 0.78 KMT2A (0.33) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL3986116 0.74 KMT2A (0.35) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL3986119 0.74 KMT2A (0.35) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL1873666 0.72 NOTUM (0.42) KMT2AALDH1A1TSHRHTR2AHTR2C
SCHEMBL2156291 0.70 NOTUM (0.42) KDM4EALDH1A1HPGDHSD17B10
SCHEMBL2421457 0.69 KDM4E (0.49) KMT2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL241854 0.68 SRD5A2 (0.39) KMT2AKDM4EMEN1ALDH1A1MAPT
Hydroxyamine SCHEMBL9656514 0.68 NOTUM (0.39) KMT2AKDM4EMEN1ALDH1A1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2268643-B1 DIOXOLANE AND DIOXOLANONE FUSED INDOLOBENZADIAZEPINE HCV NS5B INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-08-06 EP disclosed
US-8138171-B2 Dioxolane and dioxolanone fused indolobenzadiazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-20 US disclosed
US-20110020277-A1 Dioxolane and Dioxolanone Fused Indolobenzadiazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-01-27 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-20110020277-A1 Dioxolane and Dioxolanone Fused Indolobenzadiazepine HCV NS5B Inhibitors SQLE, DHX15, FDFT1 KMT2A 3261/4885KDM4E 1358/4885MEN1 4753/4885

“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.