SCHEMBL346163

SCHEMBL346163

Clc1ccc(-c2c[c]on2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 6/20 0.42
RAB9A P51151 6/20 0.42
NPC1 O15118 5/20 0.42
METAP2 P50579 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
CYP1A2 P05177 1/20 0.36
LTA4H P09960 1/20 0.35
KDM1A O60341 1/20 0.35
MAOB P27338 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL1897908 0.79 NOTUM (0.47) NOTUMRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL1154499 0.78 MAPT (0.42) NOTUMRAB9ANPC1MEN1KMT2A
SCHEMBL4308652 0.78 RAB9A (0.40) NOTUMRAB9ANPC1MEN1KMT2A
SCHEMBL4322903 0.78 ENPP3 (0.42) NOTUMRAB9ANPC1METAP2MEN1
SCHEMBL3937636 0.78 AHR (0.48) NOTUMRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL4307353 0.75 MAPT (0.44) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL4317407 0.74 KIF11 (0.45) NOTUMRAB9ANPC1MEN1KMT2A
SCHEMBL3283855 0.74 NPC1 (0.46) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL9662582 0.74 KIF11 (0.44) NOTUMRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL28719886 0.74 KMO (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8927560-B2 4-Aza-2, 3-didehydropodophyllotoxin compounds and process for the preparation thereof COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-01-06 US claimed
EP-2649078-A1 4-AZA-2, 3-DIDEHYDROPODOPHYLLOTOXIN COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF Council of Scientific & Industrial Research (IN) 2013-10-16 EP claimed
US-20130245048-A1 4-AZA-2, 3-DIDEHYDROPODOPHYLLOTOXIN COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2013-09-19 US claimed
WO-2012076942-A1 4-AZA-2, 3-DIDEHYDROPODOPHYLLOTOXIN COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2012-06-14 WO claimed
US-7696181-B2 Partial and full agonists of A1 adenosine receptors CV THERAPEUTICS, INC. (US) 2010-04-13 US claimed
US-20090325896-A1 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS IBRAHIM PRABHA 2009-12-31 US claimed
WO-2009137380-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-11-12 WO claimed
US-20090275594-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2009-11-05 US claimed
US-20060287275-A1 Partial and full agonists of A1 adenosine receptors IBRAHIM PRABHA 2006-12-21 US claimed
CN-117580824-A Modulators of integrated stress pathways 卡里科生命科学有限责任公司 2024-02-20 CN disclosed
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-06-08 US disclosed
US-11555037-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-01-17 US disclosed
CN-114206848-A Substituted cycloalkyl compounds as modulators of integrated stress pathways 卡里科生命科学有限责任公司 2022-03-18 CN disclosed
US-20210155623-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2021-05-27 US disclosed
US-5538940-A FUNGICIDE, MITICIDE, INSECTICIDE BASF AKTIENGESELLSCHAFT (DE) 1996-07-23 US disclosed
US-5416068-A Alpha-phenylacrylic acid derivatives, their preparation and their use for controlling pests and harmful fungi BASF AKTIENGESELLSCHAFT (DE) 1995-05-16 US disclosed
CN-1098713-A The ortho-ethenylphenylacetic acid derivatives that replaces BASF AG (DE) 1995-02-15 CN disclosed
US-5298527-A Insecticides BASF AKTIENGESELLSCHAFT (DE) 1994-03-29 US disclosed
US-4203896-A WITH MERCURIC ACETATE AND ACETIC ACID, ACIDIC HYDROLYSIS OF N-PROPENYL GROUP ELI LILLY AND COMPANY (US) 1980-05-20 US disclosed
US-4144232-A Substituted azetidin-2-one antibiotics ELI LILLY AND COMPANY (US) 1979-03-13 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 (7 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-20090325896-A1 PARTIAL AND FULL AGONISTS OF A1 ADENOSINE RECEPTORS ADORA1, ADORA2A, ADORA3 NOTUM 2984/4885RAB9A 2024/4885NPC1 400/4885
US-20060287275-A1 Partial and full agonists of A1 adenosine receptors ADORA1, ADORA2A, ADORA3 NOTUM 2984/4885RAB9A 2024/4885NPC1 400/4885
US-11555037-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, WNT3 NOTUM 4491/4885RAB9A 3313/4885NPC1 2768/4885
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 NOTUM 4491/4885RAB9A 3313/4885NPC1 2768/4885
US-20210155623-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 NOTUM 4491/4885RAB9A 3313/4885NPC1 2768/4885
US-20130245048-A1 4-AZA-2, 3-DIDEHYDROPODOPHYLLOTOXIN COMPOUNDS AND PROCESS FOR THE PREPARATION THEREOF CYP4X1, AZI2, CYP4B1 NOTUM 2098/4885RAB9A 1253/4885NPC1 3702/4885
US-20090275594-A1 3-HYDRAZONE PIPERAZINYL RIFAMYCIN DERIVATIVES USEFUL AS ANTIMICROBIAL AGENTS RIF1, ABCC1, HDAC6 NOTUM 4303/4885RAB9A 588/4885NPC1 202/4885

“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.