SCHEMBL695990

SCHEMBL695990

c1ccc2[nH]c(-c3ccncc3)nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 1.00
ALDH1A1 P00352 8/20 1.00
PKN1 Q16512 1/20 1.00
PKN2 Q16513 1/20 1.00
NPC1 O15118 7/20 0.75
RAB9A P51151 7/20 0.75
GAA P10253 2/20 0.75
SMN1; SMN2 Q16637 6/20 0.67
HSD17B10 Q99714 5/20 0.67
PKM P14618 3/20 0.67
TP53 P04637 2/20 0.67
LDHA P00338 1/20 0.67
EPHX2 P34913 1/20 0.67
ABCB11 O95342 1/20 0.67
NPSR1 Q6W5P4 1/20 0.67
HPGD P15428 6/20 0.66
MAPT P10636 3/20 0.66
POLB P06746 1/20 0.66
GFER P55789 1/20 0.66
ALOX15 P16050 1/20 0.60

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
SCHEMBL29693614 1.00 KDM4E (1.00) KDM4EALDH1A1PKN1PKN2NPC1
Pyridine SCHEMBL28089196 0.89 NPC1 (0.82) KDM4EALDH1A1PKN1PKN2NPC1
SCHEMBL29386825 0.88 NPC1 (0.88) KDM4EALDH1A1PKN1PKN2NPC1
SCHEMBL2178266 0.88 NPC1 (0.88) KDM4EALDH1A1PKN1PKN2NPC1
Hydrochloric Acid SCHEMBL2148025 0.86 NPC1 (0.92) KDM4EALDH1A1PKN1PKN2NPC1
Hydrochloric Acid SCHEMBL2147086 0.86 NPC1 (0.92) KDM4EALDH1A1PKN1PKN2NPC1
SCHEMBL24295036 0.86 NPC1 (0.84) KDM4EALDH1A1PKN1PKN2NPC1
Benzene SCHEMBL28005151 0.86 NPC1 (1.00) KDM4EALDH1A1PKN1PKN2NPC1
SCHEMBL105095 0.86 NPC1 (1.00) KDM4EALDH1A1PKN1PKN2NPC1
SCHEMBL30440947 0.85 KDM4E (0.73) KDM4EALDH1A1PKN1PKN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109887764-B Electrolyte of high-nickel ternary system capacitor battery and preparation method thereof 无锡凯帕德瑞科技有限公司 2021-06-25 CN claimed
EP-2421825-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP claimed
WO-2010124108-A1 AZETIDINYL DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO claimed
US-7470827-B2 Composition for the vapor phase dehydrohalogenation of 1,1,2-trihaloethane to 1,1-dihaloethylene and methods for preparing and using such composition PPG INDUSTRIES OHIO, INC. (US) 2008-12-30 US claimed
US-20080242902-A1 Composition For the Vapor Phase Dehydrohalogenation of 1,1,2-Trihaloethane To 1,1-Dihaloethylene and Methods For Preparing and Using Such Composition PPG INDUSTRIES OHIO, INC (US) 2008-10-02 US claimed
WO-2006132625-A1 COMPOSITION FOR THE VAPOR PHASE DEHYDROHALOGENATION OF 1,1,2-TRIHALOETHANE TO 1,1-DIHALOETHYLENE AND METHODS FOR PREPARING AND USING SUCH COMPOSITIONS PPG INDUSTRIES OHIO, INC. (US) 2006-12-14 WO claimed
US-12052915-B2 Organic electroluminescence device and polycyclic compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2024-07-30 US disclosed
EP-4019607-B1 ELECTROCHROMIC COMPOUNDS AND OPTICAL ARTICLES CONTAINING THEM ESSILOR INT (FR) 2024-05-15 EP disclosed
US-11935803-B2 Resin composition, laminate, semiconductor wafer with resin composition layer, substrate for mounting semiconductor with resin composition layer and semiconductor device MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-03-19 US disclosed
CN-117567431-A Benzimidazole compound, preparation method thereof and organic weldable protective agent 深圳市贝加电子材料有限公司 2024-02-20 CN disclosed
US-20240052235-A1 ELECTROCHROMIC COMPOUNDS AND OPTICAL ARTICLES CONTAINING THEM ESSILOR INTERNATIONAL (FR) 2024-02-15 US disclosed
CN-116783168-A Electrochromic compounds and optical articles comprising the same 依视路国际公司 2023-09-19 CN disclosed
US-20230292595-A1 Organic Light Emitting Diode and Device Comprising the Same NOVALED GMBH (DE) 2023-09-14 US disclosed
WO-2006132625-A1 COMPOSITION FOR THE VAPOR PHASE DEHYDROHALOGENATION OF 1,1,2-TRIHALOETHANE TO 1,1-DIHALOETHYLENE AND METHODS FOR PREPARING AND USING SUCH COMPOSITIONS PPG INDUSTRIES OHIO, INC. (US) 2006-12-14 WO disclosed
US-5849765-A Tetrahydropyridine derivatives as dopamine receptor subtype ligands MERCK SHARP & DOHME, LTD. (GB) 1998-12-15 US disclosed
US-5026705-A Benzimidazolylpyridazinones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-06-25 US disclosed
US-4923869-A INOTROPIC, VASODILATING, AND ANTITHROMBOTIC AGENTS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-05-08 US disclosed
EP-0193013-B1 BENZIMIDAZOLYL-PYRIDAZINONES MERCK PATENT GmbH (DE) 1989-04-19 EP disclosed
EP-0266558-A2 5-Alkylbenzimidazoles, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1988-05-11 EP disclosed
EP-0193013-A2 Benzimidazolyl-pyridazinones MERCK PATENT GmbH (DE) 1986-09-03 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-12052915-B2 Organic electroluminescence device and polycyclic compound for organic electroluminescence device BMI1, L1CAM, EML4 KDM4E 375/4885ALDH1A1 271/4885PKN1 1761/4885
US-20240052235-A1 ELECTROCHROMIC COMPOUNDS AND OPTICAL ARTICLES CONTAINING THEM EYA3, LAGE3, CDKL5 KDM4E 1272/4885ALDH1A1 2987/4885PKN1 478/4885
US-20080242902-A1 Composition For the Vapor Phase Dehydrohalogenation of 1,1,2-Trihaloethane To 1,1-Dihaloethylene and Methods For Preparing and Using Such Composition CYP2E1, CYP1A1, HDHD5 KDM4E 865/4885ALDH1A1 73/4885PKN1 1039/4885

“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.