SCHEMBL6504716

SCHEMBL6504716

COC(=O)c1ccc2nc(C)n(Cc3cc(N)c(Cl)cc3Cl)c2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
ADORA2A P29274 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
CDK9 P50750 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK2 Q92630 1/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
NQO2 P16083 4/20 0.35
HTT P42858 1/20 0.35
GAA P10253 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35

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
SCHEMBL6299473 0.88 ALDH1A1 (0.43) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL6299133 0.88 MAPT (0.38) KDM4EMAPTALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL6503406 0.87 KDM4E (0.42) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL6305977 0.86 ALDH1A1 (0.41) KDM4EMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL6502254 0.86 MAPT (0.37) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL6300374 0.85 PPARG (0.47) MAPTALDH1A1SMN1; SMN2ADORA2ANPC1
SCHEMBL6305523 0.85 MAPT (0.41) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL6299292 0.84 MAPT (0.41) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL6505656 0.84 DCTPP1 (0.42) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL6503987 0.84 KDM4E (0.41) KDM4EMAPTALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050154042-A1 N-alkyl pyrroles as HMG-CoA reductase inhibitors WARNER-LAMBERT COMPANY 2005-07-14 US disclosed
WO-2005014578-A1 PHENYLSULFONYL COMPOUNDS AS ANTIPSYCHOTIC AGENTS GLAXO GROUP LIMITED (GB) 2005-02-17 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-20050154042-A1 N-alkyl pyrroles as HMG-CoA reductase inhibitors HMGCR, DHCR7, CYP11A1 KDM4E 1071/4885MAPT 2939/4885ALDH1A1 1452/4885

“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.