SCHEMBL479877

SCHEMBL479877

O=C(O)c1cccnc1Nc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 8/20 1.00
MEN1 O00255 9/20 0.77
KMT2A Q03164 9/20 0.77
RAB9A P51151 6/20 0.77
SMN1; SMN2 Q16637 3/20 0.77
ALDH1A1 P00352 4/20 0.73
MAPT P10636 4/20 0.73
GAA P10253 2/20 0.73
NPC1 O15118 4/20 0.70
HTT P42858 3/20 0.70
NPSR1 Q6W5P4 2/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
LMNA P02545 3/20 0.66
PKM P14618 2/20 0.65
MAPK1 P28482 2/20 0.65
GMNN O75496 1/20 0.65
TTR P02766 1/20 0.65
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2C9 P11712 1/20 0.65

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
SCHEMBL28534915 0.90 DHODH (0.81) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL28816740 0.89 DHODH (0.81) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL12431830 0.87 DHODH (0.77) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL10644254 0.87 DHODH (0.77) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL3807873 0.87 DHODH (0.77) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL9469395 0.87 DHODH (1.00) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL15636491 0.87 DHODH (1.00) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL479805 0.86 DHODH (0.76) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL846930 0.86 DHODH (0.76) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL29402726 0.86 DHODH (0.75) DHODHMEN1KMT2ARAB9ASMN1; 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 106 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392219-A4 SUBSTITUTED N'-(ARYLCARBONYL)-BENZHYDRAZIDES, N'-(ARYLCARBONYL)-BENZYLIDENE-HYDRAZIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2007-01-24 EP claimed
US-20040186078-A1 Substituted N'-(arylcarbonyl)-benzhydrazides, N'-(arylcarbonyl)-benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2004-09-23 US claimed
EP-1392219-A2 SUBSTITUTED N'-(ARYLCARBONYL)-BENZHYDRAZIDES, N'-(ARYLCARBONYL)-BENZYLIDENE-HYDRAZIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2004-03-03 EP claimed
US-20030013743-A1 Substituted N'-(arylcarbonyl)-benzhydrazides, N'-(arylcarbonyl)-benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-01-16 US claimed
WO-2002089745-A2 SUBSTITUTED N'-(ARYLCARBONYL)-BENZHYDRAZIDES, N'-(ARYLCARBONYL)-BENZYLIDENE-HYDRAZIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2002-11-14 WO claimed
US-5248781-A Preparation of substituted anilino-nicotinic acid derivatives THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1993-09-28 US claimed
CN-111808011-B High penetration composition and its application 泰飞尔生物医药(苏州)有限公司 2024-02-27 CN disclosed
US-20230346765-A1 METHODS OF TREATING XANTHINE OXIDASE-RELATED DISEASES WITH NIFLUMIC ACID AND DERIVATIVES THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2023-11-02 US disclosed
US-20230346765-A1 METHODS OF TREATING XANTHINE OXIDASE-RELATED DISEASES WITH NIFLUMIC ACID AND DERIVATIVES THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2023-11-02 US disclosed
US-20230346765-A1 METHODS OF TREATING XANTHINE OXIDASE-RELATED DISEASES WITH NIFLUMIC ACID AND DERIVATIVES THEREOF BAYLOR COLLEGE OF MEDICINE (US) 2023-11-02 US disclosed
CN-116574053-A RIPK1 kinase target inhibitor and medical application thereof 中国药科大学 2023-08-11 CN disclosed
US-20230233516-A1 HIGH PENETRATION COMPOSITIONS AND THEIR APPLICATIONS TECHFIELDS PHARMA CO., LTD (CN) 2023-07-27 US disclosed
CN-114989079-B RIPK1 kinase target inhibitor and medical application thereof 中国药科大学 2023-06-23 CN disclosed
US-4277496-A ESTERS OF DERIVATIVES OF ANTHRANILIC ACID LABORATORIOS BAGO S.A. (AR) 1981-07-07 US disclosed
US-4273777-A PYRIDINE-3-CARBOXYLIC ACID ESTERS LABORATORIOS BAGO S.A. (AR) 1981-06-16 US disclosed
US-4256760-A PHTHALYDIL SALICYLATES AND ANTHRANYLATES LABORATORIOS BAGO S.A. (AR) 1981-03-17 US disclosed
US-4255581-A Process for the preparation of alkyl and aryl esters of 3'-substituted and 2', 3'-disubstituted 2-anilino-3-pyridinecarboxylic acids LABORATORIES BAGO, S.A. (AR) 1981-03-10 US disclosed
US-4255581-A Process for the preparation of alkyl and aryl esters of 3'-substituted and 2', 3'-disubstituted 2-anilino-3-pyridinecarboxylic acids LABORATORIES BAGO, S.A. (AR) 1981-03-10 US disclosed
US-4168313-A ANTIINFLAMMATORY AND NON-ULCEROGENIC LABORATORIOS BAGO S.A. (AR) 1979-09-18 US disclosed
US-3959272-A ANALGESICS, ANTIINFLAMMATORY, PSYCHOTROPIC SOCIETE ANONYME DITE: HEXACHIME (FR) 1976-05-25 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-20040186078-A1 Substituted N'-(arylcarbonyl)-benzhydrazides, N'-(arylcarbonyl)-benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP2, CASP1, BCL2 DHODH 3397/4885MEN1 2707/4885KMT2A 2862/4885
US-20230346765-A1 METHODS OF TREATING XANTHINE OXIDASE-RELATED DISEASES WITH NIFLUMIC ACID AND DERIVATIVES THEREOF XDH, PNPO, PNP DHODH 170/4885MEN1 3315/4885KMT2A 4069/4885
US-20030013743-A1 Substituted N'-(arylcarbonyl)-benzhydrazides, N'-(arylcarbonyl)-benzylidene-hydrazides and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP2, CASP1, BCL2 DHODH 3397/4885MEN1 2707/4885KMT2A 2862/4885
US-20230233516-A1 HIGH PENETRATION COMPOSITIONS AND THEIR APPLICATIONS SLC5A7, SLC19A1, SLC43A1 DHODH 1147/4885MEN1 434/4885KMT2A 470/4885

“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.