SCHEMBL4860862

SCHEMBL4860862

NC(=O)c1cc2cc(OC(F)(F)F)ccc2[nH]1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.73
KMT2A Q03164 2/20 0.73
GAA P10253 1/20 0.73
MAPT P10636 2/20 0.59
IDO1 P14902 1/20 0.56
HDAC1 Q13547 2/20 0.54
HDAC2 Q92769 1/20 0.54
CFD P00746 1/20 0.50
PDGFRB P09619 1/20 0.50
PDGFRA P16234 1/20 0.50
HDAC3 O15379 1/20 0.48
LGALS8 O00214 1/20 0.48
LGALS3 P17931 1/20 0.48
FLT3 P36888 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL28207999 0.89 KDM4E (0.60) KDM4EKMT2AGAAMAPTIDO1
SCHEMBL27347975 0.88 KDM4E (0.58) KDM4EKMT2AGAAMAPTIDO1
SCHEMBL2931171 0.87 KDM4E (0.71) KDM4EKMT2AGAAMAPTIDO1
SCHEMBL22529432 0.85 KDM4E (0.69) KDM4EKMT2AGAAMAPTIDO1
SCHEMBL6518676 0.84 KDM4E (0.71) KDM4EKMT2AGAAMAPTIDO1
Trifluoroacetic Acid SCHEMBL27758366 0.83 KDM4E (0.66) KDM4EKMT2AGAAMAPTIDO1
SCHEMBL27758363 0.82 KDM4E (0.64) KDM4EKMT2AGAAMAPTIDO1
SCHEMBL384385 0.81 KDM4E (0.74) KDM4EKMT2AGAAMAPTIDO1
SCHEMBL1429381 0.80 PDGFRB (0.77) KDM4EKMT2APDGFRBPDGFRAFLT3
SCHEMBL29540321 0.80 PDGFRB (0.77) KDM4EKMT2APDGFRBPDGFRAFLT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118666945-A Metabolic stable anti-drug-resistant main protease inhibitor and application thereof in preparing antiviral drugs 上海市重大传染病和生物安全研究院 2024-09-20 CN disclosed
US-7342030-B2 Indole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-03-11 US disclosed
EP-1797086-A1 INDOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. Hoffmann-Roche AG (CH) 2007-06-20 EP disclosed
WO-2006032509-A1 INDOLE DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2006-03-30 WO disclosed
US-20060063812-A1 Indole derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-03-23 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-20060063812-A1 Indole derivatives IDO1, IDO2, TPH1 KDM4E 2940/4885KMT2A 2959/4885GAA 3419/4885

“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.