SCHEMBL6690726

SCHEMBL6690726

COc1cccc(CNc2cc(NCc3ccc(C(F)(F)F)cc3)cc(C(F)(F)F)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
CASR P41180 3/20 0.50
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
HDAC1 Q13547 2/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HIF1A Q16665 1/20 0.48
UTS2R Q9UKP6 1/20 0.46
MITF O75030 1/20 0.46
TRPA1 O75762 1/20 0.46
PTPN7 P35236 1/20 0.46
DUSP3 P51452 1/20 0.46
ABCB1 P08183 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
ACP1 P24666 1/20 0.45
PPARA Q07869 1/20 0.45

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
SCHEMBL6693473 0.95 MEN1 (0.56) MAPTMEN1KMT2ACASRKDM4E
SCHEMBL6693479 0.88 MEN1 (0.59) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL6691557 0.82 FFAR1 (0.54) ALDH1A1HDAC1HDAC6TRPA1PPARA
SCHEMBL30691741 0.81 TRPA1 (0.49) MAPTGAAHIF1AMITFTRPA1
SCHEMBL6695006 0.79 MAPT (0.68) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL6692355 0.78 ADRA2A (0.49) ALDH1A1TRPA1PPARA
SCHEMBL28548736 0.78 MAPT (0.64) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL28383048 0.76 MAPT (0.58) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL6692115 0.76 MEN1 (0.47) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL6696014 0.76 CA1 (0.50) ALDH1A1TRPA1PPARA

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-20040009973-A1 Phenylenediamine derivatives N-substituted with benzyl- or heteroarylmethyl- groups 4SC AG (DE) 2004-01-15 US disclosed
WO-2003076388-A2 BIS-ANILINE DERIVATIVES USEFUL AS POTASSIUM CHANNELS MODULATORS 4SC AG (DE) 2003-09-18 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-20040009973-A1 Phenylenediamine derivatives N-substituted with benzyl- or heteroarylmethyl- groups PAH, PNMT, OPRM1 MAPT 3951/4885MEN1 960/4885KMT2A 998/4885

“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.