SCHEMBL6418987

SCHEMBL6418987

O=C(Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c2c1C(=O)c1ccccc1C2=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.57
PPARG P37231 1/20 0.56
PPARA Q07869 1/20 0.56
RAB9A P51151 5/20 0.56
NPC1 O15118 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPT P10636 4/20 0.53
LMNA P02545 2/20 0.53
GPR27 Q9NS67 2/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
GAA P10253 1/20 0.52
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
FLT1 P17948 1/20 0.50
FLT4 P35916 1/20 0.50
KDR P35968 1/20 0.50

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
SCHEMBL11140007 0.93 MEN1 (0.62) TP53PPARGPPARARAB9ANPC1
SCHEMBL11526911 0.91 CASP3 (0.56) TP53PPARGPPARARAB9ANPC1
SCHEMBL11298589 0.87 KDM4E (0.50) TP53PPARGPPARARAB9ANPC1
SCHEMBL6420048 0.85 PTPRC (0.66) RAB9ANPC1KDM4EALDH1A1MAPT
SCHEMBL6421532 0.85 CASP3 (0.65) RAB9AKDM4EALDH1A1MAPTLMNA
SCHEMBL11291214 0.84 ALDH1A1 (0.47) TP53PPARGPPARARAB9ANPC1
SCHEMBL10728647 0.83 MEN1 (0.63) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL9901505 0.79 CYP2C19 (0.72) TP53PPARGPPARARAB9ANPC1
SCHEMBL6424210 0.79 MEN1 (0.60) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL10728362 0.78 KMT2A (0.67) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1

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-20050009924-A1 Synthesis and pharmaceuticals of novel bis-substituted anthraquinone derivatives HUANG HSU-SHAN (TW) 2005-01-13 US disclosed
US-4165306-A Mass-dyeing of polyester with anthraquinone and benzanthrone dyes SANDOZ LTD. (CH) 1979-08-21 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-20050009924-A1 Synthesis and pharmaceuticals of novel bis-substituted anthraquinone derivatives NFE2L2, NR2F2, TFAM TP53 676/4885PPARG 2619/4885PPARA 3683/4885

“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.