SCHEMBL824455

SCHEMBL824455

C1=Nc2nc3c(nc2C1)c1nc2nc[nH]c2nc1c1nc2nc[nH]c2nc31

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL824434 0.77 ALDH1A1 (0.56) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL13658055 0.68 KDM4E (0.43) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL11829105 0.66 ALDH1A1 (0.62) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL17265813 0.64 ALDH1A1 (0.60) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL4549616 0.64 ALDH1A1 (0.42) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL14845583 0.60 PIK3CG (0.39) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL28993205 0.58 KDM4E (0.52) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL2131090 0.55 KDM4E (1.00) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL19153128 0.55 ALDH1A1 (0.44) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL14104382 0.54 HPGD (0.47) KDM4EALDH1A1GLAGAAHPGD

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-8416376-B2 Compensated in-plane switching mode liquid crystal display CRYSOPTIX KK (JP) 2013-04-09 US disclosed
US-8142863-B2 Color liquid crystal display and compensation panel Crysoptix, KK (JP) 2012-03-27 US disclosed
US-20100279122-A1 Benzimidazole, Benzoxazole and Benzothiazole Derivatives, Optical Film Comprising them and Method of Producing thereof CRYSOPTIX KK (JP) 2010-11-04 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-20100279122-A1 Benzimidazole, Benzoxazole and Benzothiazole Derivatives, Optical Film Comprising them and Method of Producing thereof BMX, ABCG2, BRI3BP KDM4E 1712/4885ALDH1A1 1696/4885GLA 3398/4885

“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.