SCHEMBL27192098

SCHEMBL27192098

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.43
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FFAR1 O14842 4/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 1/20 0.34

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
SCHEMBL30701958 0.83 IDO1 (0.47) SLC9A1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL27192280 0.83 MAPT (0.43) SLC9A1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL31341468 0.83 MAPT (0.43) SLC9A1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL7002979 0.78 SLC9A1 (0.67) SLC9A1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL6902353 0.78 SLC9A1 (0.67) SLC9A1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL5775091 0.78 SLC9A1 (0.67) SLC9A1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL23425327 0.76 MAPT (0.58) SLC9A1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL2563497 0.76 MAPT (0.58) SLC9A1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL3737728 0.76 MAPT (0.58) SLC9A1ALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL23116564 0.76 MAPT (0.58) SLC9A1ALDH1A1MAPTHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20240116946-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE SLC9A1 3960/4885ALDH1A1 3259/4885MAPT 2197/4885
US-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE SLC9A1 3960/4885ALDH1A1 3259/4885MAPT 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.