SCHEMBL4415544

SCHEMBL4415544

COc1cccc2c1[nH]c1ncc(Cl)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.44
UTS2R Q9UKP6 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
KDM4E B2RXH2 3/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 2/20 0.43
MCL1 Q07820 2/20 0.43
LMNA P02545 1/20 0.43
BLM P54132 1/20 0.43
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43

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
SCHEMBL4422582 0.84 PDK2 (0.59) NQO2UTS2RMEN1KMT2AKDM4E
SCHEMBL31612421 0.78 TUBB4A (0.51) NQO2MEN1KMT2AKDM4EPOLB
SCHEMBL4422523 0.77 PDK2 (0.53) NQO2UTS2RMEN1KMT2AKDM4E
SCHEMBL4421029 0.77 KIT (0.39) NQO2MEN1KMT2AKDM4EPOLB
SCHEMBL29567609 0.77 KDM4E (0.46) NQO2UTS2RMEN1KMT2AKDM4E
SCHEMBL6883244 0.74 AURKA (0.59) NQO2UTS2RMEN1KMT2AKDM4E
SCHEMBL28325027 0.74 KDM4E (0.62) NQO2MEN1KMT2AKDM4EPOLB
SCHEMBL11154928 0.72 DOT1L (0.46) NQO2KDM4EHPGDALDH1A1
SCHEMBL674512 0.72 GABRP (0.54) KMT2AGABRPGABRDGABRA1GABRB1
SCHEMBL17275512 0.71 PDE3B (0.46) NQO2UTS2RMEN1KMT2AKDM4E

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-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2009-12-31 US disclosed
WO-2008016184-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-07 WO 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-20090326229-A1 ALPHA-CARBOLINE DERIVATIVES AND METHODS FOR PREPARATION THEREOF XDH, F7, CYP4X1 NQO2 323/4885UTS2R 2142/4885MEN1 1244/4885

“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.