SCHEMBL412391

SCHEMBL412391

Cn1c(-c2ncc(C=O)s2)cc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 5/20 0.42
MAPT P10636 5/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 2/20 0.42
RECQL P46063 1/20 0.42
ADRA2A P08913 1/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
APP P05067 4/20 0.39
DAO P14920 1/20 0.38
MCL1 Q07820 1/20 0.38
KDM5B Q9UGL1 1/20 0.37
CYP2A6 P11509 2/20 0.37
CHRNB1 P11230 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNB3 Q05901 1/20 0.37

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
SCHEMBL13801144 0.74 KMT2A (0.56) KMT2AKDM4EMAPTALDH1A1HPGD
SCHEMBL412524 0.71 ALDH1A1 (0.42) KMT2AKDM4EALDH1A1MEN1RECQL
SCHEMBL10103705 0.71 KMT2A (0.76) KMT2AKDM4EMAPTALDH1A1HPGD
SCHEMBL2404429 0.70 KMT2A (0.50) KMT2AKDM4EMAPTALDH1A1HPGD
SCHEMBL17099921 0.69 ALDH1A1 (0.48) KDM4EMAPTALDH1A1CYP2A6
SCHEMBL9394 0.69 ALDH1A1 (0.50) KMT2AKDM4EMAPTALDH1A1HPGD
SCHEMBL721475 0.69 KMT2A (0.49) KMT2AKDM4EMAPTALDH1A1HPGD
SCHEMBL29642100 0.69 KMT2A (0.49) KMT2AKDM4EMAPTALDH1A1HPGD
SCHEMBL29581156 0.68 KMT2A (1.00) KMT2AKDM4EMAPTALDH1A1HPGD
SCHEMBL214075 0.68 KMT2A (1.00) KMT2AKDM4EMAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022078-A1 ARYL INDOLE DERIVATIVES MSD K.K. (JP) 2012-01-26 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-20120022078-A1 ARYL INDOLE DERIVATIVES IDO1, NAT1, IDO2 KMT2A 1890/4885KDM4E 4044/4885MAPT 4074/4885

“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.