SCHEMBL2584629

SCHEMBL2584629

CC(=O)c1ncccc1C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.74
KDM4E B2RXH2 5/20 0.74
MAPT P10636 2/20 0.74
ALOX15 P16050 2/20 0.74
CYP3A4 P08684 1/20 0.74
TSHR P16473 1/20 0.74
BLM P54132 1/20 0.74
AGER Q15109 1/20 0.74
NPSR1 Q6W5P4 1/20 0.74
L3MBTL1 Q9Y468 1/20 0.74
TDP1 Q9NUW8 1/20 0.64
LMNA P02545 3/20 0.55
NAPRT Q6XQN6 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MYC P01106 2/20 0.50
DHODH Q02127 1/20 0.47
CYP1A2 P05177 1/20 0.46
GAA P10253 2/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
Hydrochloric Acid SCHEMBL9630450 0.98 ALDH1A1 (0.71) ALDH1A1KDM4EMAPTALOX15CYP3A4
Quinolinic Acid SCHEMBL125075 0.88 KDM4E (0.88) ALDH1A1KDM4EMAPTALOX15CYP3A4
SCHEMBL187727 0.88 KDM4E (0.55) ALDH1A1KDM4EMAPTALOX15CYP3A4
Quinolinic Acid SCHEMBL27676801 0.85 KDM4E (1.00) ALDH1A1KDM4EMAPTALOX15CYP3A4
Quinolinic Acid SCHEMBL69230 0.85 KDM4E (1.00) ALDH1A1KDM4EMAPTALOX15CYP3A4
Quinolinic Acid SCHEMBL343618 0.85 KDM4E (1.00) ALDH1A1KDM4EMAPTALOX15CYP3A4
Quinolinic Acid SCHEMBL29356188 0.85 KDM4E (1.00) ALDH1A1KDM4EMAPTALOX15CYP3A4
Quinolinic Acid SCHEMBL27862037 0.84 KDM4E (0.88) ALDH1A1KDM4EMAPTALOX15CYP3A4
SCHEMBL3006650 0.84 KDM4E (0.74) ALDH1A1KDM4EMAPTALOX15CYP3A4
Quinolinic Acid SCHEMBL3744925 0.83 KDM4E (0.96) ALDH1A1KDM4EMAPTALOX15CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007053773-A1 COMPOSITIONS AND METHODS USING NICOTINIC ACID FOR TREATMENT OF HYPERCHOLESTEROLEMIA, HYPERLIPIDEMIA AND CARDIOVASCULAR DISEASE HENDRIX CURT (US) 2007-05-10 WO claimed
US-20070105793-A1 Compositions and methods using nicotinic acid for treatment of hypercholesterolemia, hyperlipidemia nd cardiovascular disease CONCOURSE HEALTH SCIENCES LLC 2007-05-10 US claimed
EP-0219451-B1 SEMICARBAZONES AND THIOSEMICARBAZONES SANDOZ AG (CH) 1991-03-20 EP claimed
CN-119751349-A Method for continuously synthesizing 8-methylquinoline 江苏优士化学有限公司 2025-04-04 CN disclosed
US-20230219937-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF SANOFI (FR) 2023-07-13 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-9388175-B2 2-aniline-4-aryl substituted thiazole derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2016-07-12 US disclosed
US-20150246958-A1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS BAIKANG (SUZHOU) CO., LTD (CN) 2015-09-03 US disclosed
US-20110269748-A1 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2011-11-03 US disclosed
EP-2272510-A1 Inhibitors of the proline racemase of trypanosoma cruzi Institut Pasteur (FR) 2011-01-12 EP disclosed
US-7645771-B2 CCR5 antagonists as therapeutic agents SMITHKLINE BEECHAM CORP. (US) 2010-01-12 US disclosed
US-5665674-A SEMICARBAZONES SANDOZ LTD. (CH) 1997-09-09 US disclosed
WO-1997003051-A1 PROCESS FOR PREPARING QUINOLINE BASES REILLY INDUSTRIES, INC. (US) 1997-01-30 WO disclosed
EP-0739341-A1 HERBICIDAL ARYL AND HETEROARYL PYRIMIDINES Novartis AG (CH) 1996-10-30 EP disclosed
US-5506191-A Heterocyclic hydrazines and hydrazones SANDOZ LTD. (CH) 1996-04-09 US disclosed
WO-1995019358-A1 HERBICIDAL ARYL AND HETEROARYL PYRIMIDINES SANDOZ LTD. (CH) 1995-07-20 WO disclosed
US-5098462-A Herbicides SANDOZ LTD. (CH) 1992-03-24 US disclosed
US-5098466-A Herbicides SANDOZ LTD. (CH) 1992-03-24 US disclosed
EP-0219451-B1 SEMICARBAZONES AND THIOSEMICARBAZONES SANDOZ AG (CH) 1991-03-20 EP disclosed
EP-0219451-A1 Semicarbazones and thiosemicarbazones SANDOZ AG (CH) 1987-04-22 EP 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 (3 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-20110269748-A1 2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES CHRNA4, CHRNA5, CHRNA7 ALDH1A1 582/4885KDM4E 3173/4885MAPT 3954/4885
US-20150246958-A1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS NOS2, EGLN2, HPGD ALDH1A1 234/4885KDM4E 1589/4885MAPT 3377/4885
US-20230219937-A1 ISOXAZOLIDINES AS RIPK1 INHIBITORS AND USE THEREOF RIPK1, RIPK4, RIPK2 ALDH1A1 2211/4885KDM4E 2270/4885MAPT 3860/4885

“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.