SCHEMBL4807204

SCHEMBL4807204

Ic1csc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.50
MAPT P10636 3/20 0.48
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
GPR3 P46089 1/20 0.42
PKM P14618 2/20 0.41
CNR2 P34972 1/20 0.39
CHRNA7 P36544 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38

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
SCHEMBL2013304 0.75 CYP2A6 (0.50) CYP2A6MAPTHDAC3HDAC4HDAC1
SCHEMBL4381193 0.74 CYP2A6 (0.54) CYP2A6MAPTHDAC3HDAC4HDAC1
SCHEMBL11320385 0.73 MAPT (0.52) CYP2A6MAPTHDAC3HDAC4HDAC1
SCHEMBL25399747 0.73 LIMK1 (0.38) MAPTSMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL264791 0.72 CYP2A6 (0.52) CYP2A6MAPTHDAC3HDAC4HDAC1
SCHEMBL1308770 0.70 CYP2A6 (0.54) CYP2A6MAPTHDAC3HDAC4HDAC1
SCHEMBL6716668 0.70 CYP2A6 (0.50) CYP2A6MAPTHDAC3HDAC4HDAC1
SCHEMBL15482286 0.70 CYP2A6 (0.50) CYP2A6MAPTHDAC3HDAC4HDAC1
SCHEMBL546825 0.70 CYP2A6 (0.50) CYP2A6MAPTHDAC3HDAC4HDAC1
SCHEMBL188594 0.70 CYP2A6 (0.50) CYP2A6MAPTHDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119932584-A Method for synthesizing 1, 1-diaryl compound by using non-activated olefin 哈尔滨工业大学(深圳)(哈尔滨工业大学深圳科技创新研究院) 2025-05-06 CN claimed
CN-119932584-A Method for synthesizing 1, 1-diaryl compound by using non-activated olefin 哈尔滨工业大学(深圳)(哈尔滨工业大学深圳科技创新研究院) 2025-05-06 CN disclosed
CN-116082296-B Method for preparing 3-halogenated benzothiophene compound by monopersulfate catalysis method 浙江医药股份有限公司新昌制药厂 2024-10-29 CN disclosed
CN-118290284-A Synthesis method and application of alpha-carbonyl amide compound 遵义医科大学 2024-07-05 CN disclosed
WO-2024026128-A2 TRICYCLIC ARYL DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF ENSEM THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
WO-2023239846-A1 HETEROCYCLIC COMPOUNDS AS PI3KΑ INHIBITORS SYNNOVATION THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
EP-4279493-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME Lg Chem, Ltd. (KR) 2023-11-22 EP disclosed
CN-116082296-A Method for preparing 3-halogenated benzothiophene compound by potassium monopersulfate catalysis method 浙江医药股份有限公司新昌制药厂 2023-05-09 CN disclosed
WO-2023275333-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-01-05 WO disclosed
WO-2023275337-A1 INHIBITORS OF TRANSGLUTAMINASES ZEDIRA GMBH (DE) 2023-01-05 WO disclosed
US-20050250959-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-11-10 US disclosed
CN-1684944-A method for copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INST TECHNOLOGY (US) 2005-10-19 CN disclosed
EP-1534671-A2 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-06-01 EP disclosed
US-6888032-B2 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-05-03 US disclosed
US-20040138468-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-07-15 US disclosed
WO-2004013094-A2 COPPER-CATALYZED FORMATION OF CARBON-HETEROATOM AND CARBON-CARBON BONDS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2004-02-12 WO disclosed
EP-1115286-A4 METHODS FOR TREATING OR PREVENTING VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INC (US) 2003-07-23 EP disclosed
US-6316492-B1 THERAPY OF INFECTION ONE VIRUS OF THE FLAVIVIRIDAE FAMILY AND DISEASE ASSOCIATED WITH SAID INFECTION BY ADMINISTERING ANTIVIRAL COMPOUND VIROPHARMA INCORPORATED 2001-11-13 US disclosed
EP-1115286-A1 METHODS FOR TREATING OR PREVENTING VIRAL INFECTIONS AND ASSOCIATED DISEASES Viropharma Incorporated (US) 2001-07-18 EP disclosed
WO-2000018231-A1 METHODS FOR TREATING OR PREVENTING VIRAL INFECTIONS AND ASSOCIATED DISEASES VIROPHARMA INCORPORATED (US) 2000-04-06 WO 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 (2 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-20050250959-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds CBR3, TST, CBS CYP2A6 106/4885MAPT 3914/4885HDAC3 1518/4885
US-20040138468-A1 Copper-catalyzed formation of carbon-heteroatom and carbon-carbon bonds CBR3, TST, CBS CYP2A6 102/4885MAPT 3934/4885HDAC3 1566/4885

“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.