Sugi Predict

Sugi Predict / Compounds / SCHEMBL3595886

SCHEMBL3595886

SCHEMBL3595886

O=c1cc[nH]cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CYP3A4 P08684 4/20 0.39
▸ TSHR P16473 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ GRIN2D O15399 1/20 0.39
▸ GRIN3B O60391 1/20 0.39
▸ GRIK1 P39086 1/20 0.39
▸ GRIA1 P42261 1/20 0.39
▸ GRIA2 P42262 1/20 0.39
▸ GRIA3 P42263 1/20 0.39
▸ GRIA4 P48058 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2A Q12879 1/20 0.39
▸ GRIK2 Q13002 1/20 0.39
▸ GRIK3 Q13003 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
SCHEMBL17801664 0.78 TDP1 (0.35) ALDH1A1KMT2ACYP3A4TSHRLMNA
SCHEMBL11310763 0.75 MAPT (0.42) ALDH1A1KMT2ACYP3A4TSHRLMNA
SCHEMBL2766413 0.73 LMNA (0.43) ALDH1A1CYP3A4TSHRLMNAMAPT
SCHEMBL28818 0.71 — —
SCHEMBL30021127 0.69 ALDH1A1 (0.61) ALDH1A1KMT2ACYP3A4MAPTHPGD
SCHEMBL28437460 0.67 ALDH1A1 (0.56) ALDH1A1KMT2ACYP3A4TSHRLMNA
SCHEMBL5249443 0.65 ALDH1A1 (0.40) ALDH1A1KMT2ACYP3A4TSHRLMNA
SCHEMBL11503840 0.65 TDP1 (0.41) ALDH1A1CYP3A4TSHRLMNAMAPT
SCHEMBL28477951 0.65 — —
SCHEMBL826350 0.65 — —

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 36 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-109201010-A A kind of preparation method of the adsorbent material based on modified konjac glucomannan 陕西镇安华兴特色农产品开发有限公司 2019-01-15 — — CN claimed
CN-102161711-B Method for preparing absorbing material based on modified konjac glucomannan UNIV SW SCI & TECH SWUST 2013-04-10 — — CN claimed
CN-102161711-A Method for preparing absorbing material based on modified konjac glucomannan UNIV SW SCI & TECH SWUST 2011-08-24 — — CN claimed
US-20250075147-A1 FRAGRANCE AND FLAVOR COMPOSITIONS COMPRISING NEW FLAVOR AND FRAGRANCE INGREDIENTS OSMO LABS, PBC 2025-03-06 — — US disclosed
CN-101875617-B Carbamyl aromatic acid compound with alkoxy replacing aromatic ring, preparation method and application thereof INST MATERIA MEDICA CAMS 2015-05-20 — — CN disclosed
CN-102161711-B Method for preparing absorbing material based on modified konjac glucomannan UNIV SW SCI & TECH SWUST 2013-04-10 — — CN disclosed
CN-101678014-B Heterocyclic kinase modulators SGX PHARMACEUTICALS INC 2012-12-12 — — CN disclosed
CN-102161711-A Method for preparing absorbing material based on modified konjac glucomannan UNIV SW SCI & TECH SWUST 2011-08-24 — — CN disclosed
CN-101875617-A Carbamyl aromatic acid compound with alkoxy replacing aromatic ring, preparation method and application thereof INST MATERIA MEDICA CAMS 2010-11-03 — — CN disclosed
CN-101678014-A heterocyclic kinase modulators SGX PHARMACEUTICALS INC 2010-03-24 — — CN disclosed
CN-101641341-A Amide compounds and their use as antitumor agents SIGMA TAU IND FARMACEUTI IT 2010-02-03 — — CN disclosed
CN-1147493-C Oxazolo, thiazolo and selenazolo [4,5-C]-quinolin-4-amines and analoges thereof 3M 2004-04-28 — — CN disclosed
US-20030119869-A1 Ccr5 modulators benzimidazoles or benzotriazoles ASTRAZENECA AB (SE) 2003-06-26 — — US disclosed
EP-1265870-A1 NEW CCR5 MODULATORS: BENZIMIDAZOLES OR BENZOTRIAZOLES AstraZeneca AB (SE) 2002-12-18 — — EP disclosed
CN-1320126-A Oxazolo, thiazolo and selenazolo [4, 5-C ] quinolin-4-amines and analogs thereof 3M INNOVATIVE PROPERTIES CO (US) 2001-10-31 — — CN disclosed
WO-2001066525-A1 NEW CCR5 MODULATORS: BENZIMIDAZOLES OR BENZOTRIAZOLES ASTRAZENECA AB (SE) 2001-09-13 — — WO disclosed
US-4153693-A 1,4-Dihydro-4-oxo-pyridylacetamido cephalosporins and their utilization as medicinal agents for combating bacterial infections MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1979-05-08 — — US disclosed
US-4131677-A Anti-inflammatory oxazolo [5,4-b]pyridines MERCK & CO., INC. (US) 1978-12-26 — — US disclosed
US-4038396-A ANTIPYRETICS, ANALGESICS MERCK & CO., INC. (US) 1977-07-26 — — 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 (1 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-20030119869-A1 Ccr5 modulators benzimidazoles or benzotriazoles CCR5, CCR2, CXCR4 ALDH1A1 1599/4885KMT2A 2707/4885CYP3A4 176/4885

“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.