SCHEMBL23717308

SCHEMBL23717308

CSc1ccc2nc(C(F)(F)F)[nH]c2c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.77
▸ HPGD P15428 3/20 0.77
▸ HSD17B10 Q99714 2/20 0.77
▸ CYP1A2 P05177 1/20 0.77
▸ CYP2C9 P11712 1/20 0.77
▸ ALOX15 P16050 1/20 0.77
▸ CYP2C19 P33261 1/20 0.77
▸ KDM4E B2RXH2 3/20 0.58
▸ MAPT P10636 3/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.53
▸ LMNA P02545 2/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ HTT P42858 1/20 0.52
▸ POLB P06746 1/20 0.51
▸ SCN10A Q9Y5Y9 2/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ TYMS P04818 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ ACP1 P24666 1/20 0.39

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
SCHEMBL14820402 0.87 ALDH1A1 (0.58) ALDH1A1HPGDHSD17B10CYP1A2CYP2C9
SCHEMBL18932089 0.85 ALDH1A1 (0.55) ALDH1A1HPGDHSD17B10CYP1A2CYP2C9
SCHEMBL10624038 0.84 ALDH1A1 (0.77) ALDH1A1HPGDHSD17B10CYP1A2CYP2C9
SCHEMBL436153 0.78 ALDH1A1 (0.63) ALDH1A1HPGDHSD17B10CYP1A2CYP2C9
SCHEMBL16809191 0.76 ALDH1A1 (0.58) ALDH1A1HPGDHSD17B10CYP1A2CYP2C9
SCHEMBL10694441 0.76 KDM4E (0.65) ALDH1A1HPGDHSD17B10CYP1A2CYP2C9
SCHEMBL25912269 0.75 MAPT (0.46) ALDH1A1HPGDHSD17B10CYP1A2CYP2C9
SCHEMBL521212 0.75 MAPT (0.97) ALDH1A1HPGDHSD17B10CYP1A2CYP2C9
SCHEMBL1887466 0.75 ALDH1A1 (0.63) ALDH1A1HPGDHSD17B10CYP1A2CYP2C9
SCHEMBL8502461 0.75 HPGD (0.51) ALDH1A1HPGDHSD17B10CYP1A2CYP2C9

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-11420976-B2 Heterocyclic compounds as anti-viral agents ENANTA PHARMACEUTICALS, INC. (US) 2022-08-23 — — US disclosed
US-20210238188-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2021-08-05 — — 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 (2 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-20210238188-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS VIP, ACE, FURIN ALDH1A1 1686/4885HPGD 36/4885HSD17B10 1288/4885
US-11420976-B2 Heterocyclic compounds as anti-viral agents VIP, ACE, FURIN ALDH1A1 1686/4885HPGD 36/4885HSD17B10 1288/4885

“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.

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