SCHEMBL5622089

SCHEMBL5622089

Nc1c(C(=O)N2CCOCC2)sc2cnccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.54
ALDH1A1 P00352 6/20 0.54
KDM4E B2RXH2 5/20 0.54
HSD17B10 Q99714 4/20 0.54
HTT P42858 3/20 0.54
GAA P10253 2/20 0.54
GLA P06280 1/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
NCOA1 Q15788 1/20 0.54
RCE1 Q9Y256 1/20 0.54
NCOA3 Q9Y6Q9 1/20 0.54
RAB9A P51151 9/20 0.51
NPC1 O15118 8/20 0.50
MAPT P10636 6/20 0.50
USP2 O75604 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
TP53 P04637 3/20 0.50
KMT2A Q03164 3/20 0.50
ALOX15 P16050 4/20 0.49

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
SCHEMBL4766739 0.82 CNR1 (0.44) HPGDALDH1A1KDM4EHSD17B10HTT
SCHEMBL5622141 0.76 SELE (0.42) HPGDALDH1A1KDM4EHSD17B10HTT
SCHEMBL15512118 0.75 KDM4E (0.68) HPGDALDH1A1KDM4EHSD17B10HTT
SCHEMBL4762789 0.71 BRAF (0.70)
SCHEMBL4724459 0.70 KDM4E (0.70) HPGDALDH1A1KDM4EHSD17B10HTT
SCHEMBL7836288 0.70 KDM4E (1.00) HPGDALDH1A1KDM4EHSD17B10HTT
SCHEMBL5622384 0.69 HPGD (0.64) HPGDALDH1A1KDM4EHSD17B10HTT
SCHEMBL15754906 0.68 PHGDH (0.66) HPGDALDH1A1KDM4EHSD17B10HTT
SCHEMBL24455324 0.68 HSD17B10 (0.48) HPGDALDH1A1KDM4EHSD17B10HTT
SCHEMBL30555044 0.68 HSD17B10 (0.48) HPGDALDH1A1KDM4EHSD17B10HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 2007-03-01 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-20070049603-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF HPGD 2204/4885ALDH1A1 1842/4885KDM4E 3956/4885

“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.