SCHEMBL13100685

SCHEMBL13100685

Cc1cccc2c3cnccc3n(C)c12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 1/20 0.64
FTO Q9C0B1 1/20 0.64
TOP2A P11388 1/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
MAOA P21397 4/20 0.44
MAOB P27338 4/20 0.44
ACHE P22303 1/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
HCRTR1 O43613 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2D6 P10635 1/20 0.41
CYP11B2 P19099 2/20 0.41
ATM Q13315 1/20 0.40
GRM4 Q14833 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP17A1 P05093 1/20 0.37
GABRP O00591 1/20 0.36

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
SCHEMBL18253293 0.87 ALKBH5 (0.64) ALKBH5FTOTOP2AKDM4EMAPT
SCHEMBL25564871 0.80 TOP2A (0.42) ALKBH5FTOTOP2AKDM4EMAPT
SCHEMBL19271296 0.80 MAOA (0.48) ALKBH5FTOMAOAMAOBACHE
SCHEMBL18415760 0.78 CYP17A1 (0.45) ALKBH5FTOKDM4EMAOAMAOB
SCHEMBL146377 0.78 ALKBH5 (1.00) ALKBH5FTOKDM4EMAPTACHE
SCHEMBL280029 0.78 TOP2A (0.50) TOP2AMAPTMAOAMAOBACHE
SCHEMBL25703708 0.78 TOP2A (0.47) ALKBH5FTOTOP2AKDM4EMAPT
SCHEMBL21168173 0.77 ALKBH5 (0.55) ALKBH5FTOTOP2AKDM4EMAPT
SCHEMBL29548306 0.77 GPR3 (0.64) ALKBH5FTOTOP2AKDM4EMAPT
SCHEMBL280028 0.77 GPR3 (0.64) ALKBH5FTOTOP2AKDM4EMAPT

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
US-20160343957-A1 ELECTRON TRANSPORT MATERIALS FOR ELECTRONIC APPLICATIONS LG CHEM, LTD. (KR) 2016-11-24 US disclosed
US-20100256379-A1 ANTI-VIRAL AGENT CONTAINING HETEROCYCLIC AROMATIC COMPOUND AS ACTIVE INGREDIENT KAGOSHIMA UNIVERSITY 2010-10-07 US disclosed
US-20100256379-A1 ANTI-VIRAL AGENT CONTAINING HETEROCYCLIC AROMATIC COMPOUND AS ACTIVE INGREDIENT KAGOSHIMA UNIVERSITY 2010-10-07 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 (2 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-20160343957-A1 ELECTRON TRANSPORT MATERIALS FOR ELECTRONIC APPLICATIONS CCNE2, ESR2, CCNL2 ALKBH5 3585/4885FTO 2481/4885TOP2A 2767/4885
US-20100256379-A1 ANTI-VIRAL AGENT CONTAINING HETEROCYCLIC AROMATIC COMPOUND AS ACTIVE INGREDIENT H1-10, MAVS, HNRNPH3 ALKBH5 950/4885FTO 3329/4885TOP2A 1390/4885

“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.