SCHEMBL751415

SCHEMBL751415

COC(=O)c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.62
MAPT P10636 3/20 0.62
MEN1 O00255 2/20 0.62
ABCB1 P08183 1/20 0.59
CTSV O60911 4/20 0.58
CTSL P07711 4/20 0.58
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
POLB P06746 1/20 0.55
ALDH1A1 P00352 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HPGD P15428 2/20 0.53
LMNA P02545 1/20 0.53
CYP3A4 P08684 1/20 0.53
TSHR P16473 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL30082879 0.90 MYC (0.59) KMT2AMAPTMEN1ABCB1CTSV
SCHEMBL527105 0.90 MYC (0.59) KMT2AMAPTMEN1ABCB1CTSV
SCHEMBL11091089 0.89 CTSV (0.57) KMT2AMAPTMEN1ABCB1CTSV
SCHEMBL8327970 0.88 MAPT (0.53) KMT2AMAPTMEN1ABCB1CTSV
SCHEMBL5299658 0.88 ABCB1 (0.55) KMT2AMAPTMEN1ABCB1CTSV
SCHEMBL13011586 0.87 KMT2A (0.54) KMT2AMAPTMEN1ABCB1CTSV
SCHEMBL29368594 0.87 ALDH1A1 (0.63) KMT2AMAPTMEN1ABCB1CTSV
SCHEMBL965943 0.87 ALDH1A1 (0.63) KMT2AMAPTMEN1ABCB1CTSV
SCHEMBL750245 0.87 CTSV (0.63) KMT2AMAPTMEN1ABCB1CTSV
SCHEMBL2722685 0.87 MAPT (0.56) KMT2AMAPTMEN1ABCB1CTSV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250059219-A1 LIGNAN DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2025-02-20 US disclosed
CN-117440947-A Lignan derivative, preparation method and application thereof 中国科学院上海药物研究所 2024-01-23 CN disclosed
WO-2022222686-A1 LIGNAN DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海药物研究所 2022-10-27 WO disclosed
CN-115215821-A Lignan derivative, preparation method and application thereof 中国科学院上海药物研究所 2022-10-21 CN disclosed
CN-110183348-B N- (3-nitro-4-alkoxy benzoyl) amino acid compound, preparation method and application thereof 中国医科大学 2022-06-03 CN disclosed
CN-110183348-A N- (3- nitro -4- alkoxybenzoyl) amino acids, preparation method and its usage 中国医科大学 2019-08-30 CN disclosed
WO-2012053768-A2 ARYLOXYPHENOXYACETYL-BASED COMPOUND HAVING HIF-1 INHIBITION ACTIVITY, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME AS AN ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2012-04-26 WO disclosed
EP-1996563-B1 HETEROBICYCLIC SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES HOFFMANN LA ROCHE (CH) 2012-03-21 EP disclosed
US-8030308-B2 Bicyclic sulfonamide derivatives which are L-CPT 1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2011-10-04 US disclosed
US-20110046112-A1 NOVEL BICYCLIC SULFONAMIDE DERIVATIVES WHICH ARE L-CPT1 INHIBITORS ACKERMANN JEAN 2011-02-24 US disclosed
US-7879845-B2 Liver carnitine-dependent palmitoyltransferase (L-CPT1) inhibitors such as 4-{[4-(5-Chloro-2-methoxy-benzenesulfonyl)-3,4-dihydro-2H-benzo[1,4]thiazine-6-carbonyl]-amino}-benzoic acid, used for the treatment of non-insulin dependent diabetes; antidiabetic agents HOFFMANN-LA ROCHE INC. (US) 2011-02-01 US disclosed
US-20100130484-A1 NOVEL BICYCLIC SULFONAMIDE DERIVATIVES WHICH ARE L-CPT1 INHIBITORS ACKERMANN JEAN 2010-05-27 US disclosed
US-7696200-B2 Bicyclic sulfonamide derivatives which are L-CPT1 inhibitors HOFFMANN-LA ROCHE INC. (US) 2010-04-13 US disclosed
EP-1996563-A1 HETEROBICYCLIC SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2008-12-03 EP disclosed
WO-2007093507-A1 HETEROBICYCLIC SULFONAMIDE DERIVATIVES FOR THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-23 WO disclosed
US-20070191603-A1 Novel bicyclic sulfonamide derivatives which are L-CPT1 inhibitors F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-16 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 (4 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-20250059219-A1 LIGNAN DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF HADHA, HADHB, HADH KMT2A 4107/4885MAPT 2828/4885MEN1 2640/4885
US-20110046112-A1 NOVEL BICYCLIC SULFONAMIDE DERIVATIVES WHICH ARE L-CPT1 INHIBITORS CPT1A, CPT1B, CPT2 KMT2A 2316/4885MAPT 3162/4885MEN1 4556/4885
US-20100130484-A1 NOVEL BICYCLIC SULFONAMIDE DERIVATIVES WHICH ARE L-CPT1 INHIBITORS CPT1A, CPT1B, CPT2 KMT2A 2316/4885MAPT 3162/4885MEN1 4556/4885
US-20070191603-A1 Novel bicyclic sulfonamide derivatives which are L-CPT1 inhibitors CPT1A, CPT1B, CPT2 KMT2A 2316/4885MAPT 3162/4885MEN1 4556/4885

“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.