SCHEMBL5582989

SCHEMBL5582989

CCOc1cc(F)cnc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 5/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 6/20 0.37
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 5/20 0.36
KMT2A Q03164 3/20 0.36
HTT P42858 1/20 0.36
BLM P54132 1/20 0.36
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL29538950 0.85 S1PR4 (0.39) S1PR4NPC1RAB9AMAPTALDH1A1
SCHEMBL24317048 0.85 S1PR4 (0.39) S1PR4NPC1RAB9AMAPTALDH1A1
SCHEMBL11799473 0.82 MAPT (0.43) NPC1RAB9AMAPTALDH1A1SMN1; SMN2
SCHEMBL26647353 0.81 NPC1 (0.40) S1PR4NPC1RAB9AMAPTALDH1A1
SCHEMBL5582814 0.81 NPC1 (0.43) S1PR4NPC1RAB9AMAPTALDH1A1
SCHEMBL11804530 0.79 S1PR4 (0.44) S1PR4NPC1RAB9AMAPTALDH1A1
SCHEMBL30271367 0.77 S1PR4 (0.36) S1PR4NPC1RAB9AMAPTALDH1A1
SCHEMBL26646867 0.77 TSHR (0.47) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL26646812 0.75 NPC1 (0.50) NPC1RAB9AMAPTALDH1A1LMNA
SCHEMBL30828968 0.74 NPC1 (0.43) NPC1RAB9AMAPTALDH1A1SMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240092774-A1 HETEROAROMATIC COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2024-03-21 US disclosed
EP-4214198-A1 HETEROAROMATIC COMPOUNDS AND USES THEREOF Hutchison Medipharma Limited (CN) 2023-07-26 EP disclosed
CN-116323582-A Heteroaromatic ring compounds and uses thereof 和记黄埔医药(上海)有限公司 2023-06-23 CN disclosed
WO-2022057895-A1 HETEROAROMATIC COMPOUNDS AND USES THEREOF HUTCHISON MEDIPHARMA LIMITED (CN) 2022-03-24 WO disclosed
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-02-01 US disclosed
EP-1664018-A1 BIPYRIDYL AMINES AND ETHERS AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Merck & Co., Inc. (US) 2006-06-07 EP disclosed
WO-2005021529-A1 BIPYRIDYL AMINES AND ETHERS AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO., INC. (US) 2005-03-10 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-20240092774-A1 HETEROAROMATIC COMPOUNDS AND USES THEREOF CYP2D6, CYP3A7, CYP2F1 S1PR4 4372/4885NPC1 283/4885RAB9A 2657/4885
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRM1 S1PR4 1629/4885NPC1 3553/4885RAB9A 1672/4885

“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.