SCHEMBL31044871

SCHEMBL31044871

CSc1nc(Cl)c2cc(C)sc2n1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.36
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PKM P14618 1/20 0.33
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
NOTUM Q6P988 1/20 0.31
POLB P06746 1/20 0.30
HSP90AB1 P08238 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
SCHEMBL14317410 0.82 PKM (0.46) ABCB1PKMKDM4EALDH1A1MAPT
SCHEMBL31044826 0.82 TSHR (0.37) KDM4EALDH1A1
SCHEMBL31045063 0.82 ABCB1 (0.40) ABCB1KMT2ACYP1A2KDM4EALDH1A1
SCHEMBL2305098 0.79 ABCB1 (0.50) ABCB1KMT2APKMKDM4EALDH1A1
SCHEMBL31045125 0.79 DHFR (0.37) KMT2ACYP1A2CYP2C9CYP2C19PKM
SCHEMBL1969445 0.78 KDM4E (0.36) KMT2AKDM4EALDH1A1MAPTMEN1
SCHEMBL5432011 0.78 MAPT (0.37) KMT2AKDM4EALDH1A1LMNAMAPT
SCHEMBL31045351 0.77 USP2 (0.36) KMT2ACYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL31045269 0.77 KDM4E (0.32) KDM4EALDH1A1LMNAMAPTHTT
SCHEMBL20668056 0.76 SELE (0.39) KMT2AKDM4EALDH1A1LMNAMAPT

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-20240279236-A1 COMPOUNDS AND METHODS OF TREATING TUBERCULOSIS FIMBRION THERAPEUTICS, INC. (US) 2024-08-22 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-20240279236-A1 COMPOUNDS AND METHODS OF TREATING TUBERCULOSIS G6PD, SDHA, NQO1 ABCB1 1291/4885KMT2A 4333/4885CYP1A2 1577/4885

“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.