SCHEMBL178068

SCHEMBL178068

COc1ccc(C)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.61
MAPK1 P28482 3/20 0.61
TSHR P16473 2/20 0.56
CYP3A4 P08684 1/20 0.56
RECQL P46063 1/20 0.56
MAPT P10636 5/20 0.55
KMT2A Q03164 3/20 0.52
HPGD P15428 1/20 0.52
POLB P06746 1/20 0.51
MCOLN3 Q8TDD5 1/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
MEN1 O00255 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KDM4E B2RXH2 1/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48

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
SCHEMBL25230829 0.87 ALDH1A1 (0.51) ALDH1A1MAPK1TSHRCYP3A4RECQL
SCHEMBL375109 0.86 MAPT (0.53) ALDH1A1MAPK1TSHRCYP3A4RECQL
SCHEMBL1897174 0.85 ALDH1A1 (0.57) ALDH1A1MAPK1TSHRCYP3A4MAPT
SCHEMBL30382526 0.85 ALDH1A1 (0.57) ALDH1A1MAPK1TSHRCYP3A4MAPT
SCHEMBL1662886 0.84 ALDH1A1 (0.65) ALDH1A1MAPK1TSHRCYP3A4MAPT
SCHEMBL10340370 0.82 ALDH1A1 (0.61) ALDH1A1MAPK1MAPTKMT2APOLB
SCHEMBL5237976 0.82 ALDH1A1 (0.54) ALDH1A1MAPK1TSHRCYP3A4RECQL
SCHEMBL177217 0.81 ALDH1A1 (0.53) ALDH1A1MAPK1TSHRCYP3A4RECQL
SCHEMBL13301370 0.81 ALDH1A1 (0.49) ALDH1A1MAPK1TSHRCYP3A4RECQL
SCHEMBL30178231 0.81 ALDH1A1 (0.49) ALDH1A1MAPK1TSHRCYP3A4RECQL

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 233 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250075147-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING NEW FLAVOR AND FRAGRANCE INGREDIENTS OSMO LABS, PBC 2025-03-06 US claimed
CN-111333550-A Preparation method of azoxybenzene derivative 常州工学院 2020-06-26 CN claimed
US-20250101038-A1 COMPOUNDS Psylo Pty Ltd (AU) 2025-03-27 US disclosed
US-20250075147-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING NEW FLAVOR AND FRAGRANCE INGREDIENTS OSMO LABS, PBC 2025-03-06 US disclosed
US-20250059217-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF PREPARATION THEREOF BRIGHT MINDS BIOSCIENCES INC. (CA) 2025-02-20 US disclosed
CN-118994041-A Compound, latent ultraviolet absorber, composition, cured product, and method for producing cured product 株式会社艾迪科 2024-11-22 CN disclosed
EP-4452937-A1 COMPOUNDS Psylo Pty Ltd (AU) 2024-10-30 EP disclosed
CN-118715204-A Compounds of formula (I) 普赛洛私人有限公司 2024-09-27 CN disclosed
EP-2888285-B1 ANTIBODIES TO ARIPIPRAZOLE HAPTENS AND USE THEREOF JANSSEN PHARMACEUTICA NV (BE) 2024-04-17 EP disclosed
CN-117897376-A Heterocyclic compounds and process for preparing same 光明智慧生物科学公司 2024-04-16 CN disclosed
EP-4347561-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF PREPARATION THEREOF Bright Minds Biosciences Inc. (CA) 2024-04-10 EP disclosed
US-4451462-A Method of treating inflammation and pain using heteramino benzofurans CIBA-GEIGY CORPORATION (US) 1984-05-29 US disclosed
EP-0107620-A1 Phenol derivatives CIBA-GEIGY AG (CH) 1984-05-02 EP disclosed
US-4426380-A ANTIINFLAMMATORY, ANALGESIC, SUNSCREEN CIBA-GEIGY CORPORATION (US) 1984-01-17 US disclosed
EP-0078241-A2 Furanes CIBA-GEIGY AG (CH) 1983-05-04 EP disclosed
US-4377581-A ANTIHYPERTENSIVE AGENTS PFIZER INC. (US) 1983-03-22 US disclosed
US-4351940-A Chloro- and alkoxy-substituted-2-chloro-4-aminodquinazolines PFIZER INC. (US) 1982-09-28 US disclosed
US-4287341-A USEFUL AS ANTIHYPERTENSIVE AGENTS PFIZER INC. (US) 1981-09-01 US disclosed
EP-0028473-A1 Chloro- and alkoxy-substituted-2,4-diaminoquinazolines and pharmaceutical compositions containing them PFIZER INC. (US) 1981-05-13 EP disclosed
US-3976639-A Intermediates for indoles HOFFMANN-LA ROCHE INC. (US) 1976-08-24 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-20250101038-A1 COMPOUNDS NLN, SLC18A2, PYGB ALDH1A1 981/4885MAPK1 3012/4885TSHR 1561/4885
US-20250059217-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF PREPARATION THEREOF OPRL1, OPRK1, CNR2 ALDH1A1 371/4885MAPK1 158/4885TSHR 3174/4885

“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.