SCHEMBL30701958

SCHEMBL30701958

COC(=O)[C@H]1C[C@@H]1c1cncc([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
SLC9A1 P19634 1/20 0.40
MAPT P10636 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TP53 P04637 1/20 0.37
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL27192280 0.84 MAPT (0.43) SLC9A1MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL31341468 0.84 MAPT (0.43) SLC9A1MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL27192098 0.83 SLC9A1 (0.43) SLC9A1MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL5780021 0.80 SLC9A1 (0.62) IDO1SLC9A1MAPTALDH1A1HPGD
SCHEMBL30879550 0.80 SLC9A1 (0.62) IDO1SLC9A1MAPTALDH1A1HPGD
SCHEMBL30879548 0.80 SLC9A1 (0.62) IDO1SLC9A1MAPTALDH1A1HPGD
SCHEMBL13043598 0.79 IDO1 (0.54) IDO1MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL15248884 0.79 IDO1 (0.54) IDO1MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL24737411 0.78 SLC6A4 (0.39) IDO1
SCHEMBL3755257 0.78 TAS1R3 (0.39) IDO1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12410183-B2 Sars-cov2 main protease inhibitors GILEAD SCIENCES, INC. (US) 2025-09-09 US disclosed
EP-4565574-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2025-06-11 EP disclosed
US-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2025-02-06 US disclosed
US-12091420-B2 SARS-COV2 main protease inhibitors GILEAD SCIENCES, INC. (US) 2024-09-17 US disclosed
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 US disclosed
US-20240116946-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-04-11 US disclosed
WO-2024031089-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-08 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 (5 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-20250042915-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE IDO1 1204/4885SLC9A1 3960/4885MAPT 2197/4885
US-12091420-B2 SARS-COV2 main protease inhibitors ACE2, TMPRSS2, ACE IDO1 1204/4885SLC9A1 3960/4885MAPT 2197/4885
US-20240116946-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE IDO1 1204/4885SLC9A1 3960/4885MAPT 2197/4885
US-12410183-B2 Sars-cov2 main protease inhibitors ACE2, TMPRSS2, ACE IDO1 1204/4885SLC9A1 3960/4885MAPT 2197/4885
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE IDO1 1204/4885SLC9A1 3960/4885MAPT 2197/4885

“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.