SCHEMBL4889258

SCHEMBL4889258

CN(C)c1cccc2c(S(=O)(=O)N(CCN(Cc3cnc[nH]3)c3ccccc3)Cc3ccccc3)cccc12

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.59
FNTB P49356 3/20 0.59
PGGT1B P53609 2/20 0.59
TAAR1 Q96RJ0 4/20 0.50
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45
HIF1A Q16665 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HDAC3 O15379 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC2 Q92769 3/20 0.44
NCOR2 Q9Y618 3/20 0.44
HDAC6 Q9UBN7 2/20 0.44

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
SCHEMBL4897839 0.81 FNTA (0.69) FNTAFNTBPGGT1BTAAR1
SCHEMBL4902228 0.79 FNTA (0.60) FNTAFNTBPGGT1BTAAR1
SCHEMBL4897164 0.75 FNTA (0.61) FNTAFNTBPGGT1BTAAR1
SCHEMBL4893490 0.75 FNTA (1.00) FNTAFNTBPGGT1B
SCHEMBL4894226 0.75 FNTA (1.00) FNTAFNTBPGGT1BTAAR1
SCHEMBL4888303 0.74 FNTA (0.61) FNTAFNTBPGGT1BTAAR1
SCHEMBL631711 0.70 TAAR1 (1.00) TAAR1
SCHEMBL4896739 0.70 FNTA (1.00) FNTAFNTBPGGT1B
SCHEMBL14110649 0.68 HDAC3 (0.50) FNTAFNTBPGGT1BCYP1A2CYP2C19
SCHEMBL14189367 0.67 TAAR1 (0.68) FNTAFNTBTAAR1

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-20080312287-A1 Compound and Methods For the Treatment of Cancer and Malaria UNIVERSITY OF WASHINGTON (US) 2008-12-18 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-20080312287-A1 Compound and Methods For the Treatment of Cancer and Malaria AKR1C3, NR1H3, HCCS FNTA 18/4885FNTB 38/4885PGGT1B 912/4885

“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.