SCHEMBL3096979

SCHEMBL3096979

C[C](C)c1cccc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.56
HTT P42858 2/20 0.55
KDM4E B2RXH2 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CTSL P07711 1/20 0.49
TSHR P16473 1/20 0.48
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
ERCC5 P28715 1/20 0.46
FEN1 P39748 1/20 0.46
SLC6A2 P23975 2/20 0.44
PKM P14618 1/20 0.44
CHRNA1 P02708 1/20 0.44
CHRNG P07510 1/20 0.44
ITGA5 P08648 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
SCHEMBL4375606 0.85 PARP1 (0.56) PARP1HTTKDM4ESMN1; SMN2MEN1
SCHEMBL16951392 0.83 PARP1 (0.54) PARP1HTTKDM4ESMN1; SMN2MEN1
SCHEMBL13221047 0.81 CTSL (0.54) PARP1HTTKDM4ESMN1; SMN2MEN1
SCHEMBL1361076 0.81 PARP1 (0.52) PARP1HTTKDM4ESMN1; SMN2MEN1
SCHEMBL54859 0.81 PARP1 (0.63) PARP1HTTKDM4ESMN1; SMN2MEN1
SCHEMBL23931574 0.81 PARP1 (0.63) PARP1HTTKDM4ESMN1; SMN2MEN1
SCHEMBL13478834 0.81 PARP1 (0.52) PARP1HTTKDM4ESMN1; SMN2MEN1
SCHEMBL17187940 0.81 PARP1 (0.63) PARP1HTTKDM4ESMN1; SMN2MEN1
SCHEMBL21981592 0.81 PARP1 (0.52) PARP1HTTKDM4ESMN1; SMN2MEN1
SCHEMBL16364221 0.81 PARP1 (0.52) PARP1HTTKDM4ESMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117836280-A Preparation method of 4-bromo-isothiazolinone derivative and 4-bromo-isothiazolinone derivative 奥加诺株式会社 2024-04-05 CN disclosed
WO-2023032654-A1 PRODUCTION METHOD FOR 4-BROMOISOTHIAZOLINONE DERIVATIVE AND 4-BROMOISOTHIAZOLINONE DERIVATIVE オルガノ株式会社 2023-03-09 WO disclosed
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 US disclosed
EP-3157920-B1 INDOLIZINE DERIVATIVES AS PHOSPHOINOSITIDE 3-KINASES INHIBITORS CHIESI FARM SPA (IT) 2019-08-07 EP disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 US disclosed
CN-105358534-A Novel synthetic process to 8-chloro-1-methyl-benzo[d]azepine, novel intermediates and the production thereof LEK PHARMACEUTICALS 2016-02-24 CN disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
WO-2012163959-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2012-12-06 WO disclosed
CN-101817784-B Ethylene derivatives and pesticides containing said derivatives NISSAN CHEMICAL INDUSTRIES CO., LTD. (JP) 2012-02-01 CN disclosed
US-20100234220-A1 Oxooxetanes as Fungicidal Agents BAYER CROPSCIENCE AG (DE) 2010-09-16 US disclosed
US-6063734-A AGRICULTURAL CHEMICALS, AGENTS FOR PREVENTING ATTACHMENT OF AQUATIC ORGANISMS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-05-16 US disclosed
US-5965613-A FUNGICIDES FOR USE IN AGRICULTURE AND HORTICULTURE; THE COMPOUNDS ALSO HAVE INSECTICIDAL AND ACARICIDAL ACTIVITY NOVARTIS FINANCE CORPORATION (US) 1999-10-12 US disclosed
CN-1216530-A Ethylene derivatives and pesticides containing the same NISSAN CHEMICAL IND LTD (JP) 1999-05-12 CN disclosed
EP-0913392-A1 ETHYLENE DERIVATIVES AND PEST CONTROLLING AGENTS NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1999-05-06 EP disclosed
US-5712281-A Insecticidal substituted-2,4-diamino-5,6,7,8-tetrahydroquinazolines FMC CORPORATION (US) 1998-01-27 US disclosed
EP-0635485-B1 TETRAHYDROPHTHALAMIDE DERIVATIVE, INTERMEDIATE FOR PRODUCING THE SAME, PRODUCTION OF BOTH, AND HERBICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT SAGAMI CHEM RES (JP) 1997-06-11 EP disclosed
US-5554581-A Tetrahydrophthalamide derivative, intermediate for producing the same, production of both, and herbicide containing the same as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 1996-09-10 US disclosed
US-5506190-A Tetrahydrophthalamide derivative, intermediate for producing the same, production of both, and herbicide containing the same as active ingredient SAGAMI CHEMICAL RESEARCH CENTER (JP) 1996-04-09 US disclosed
US-5466697-A 8-phenyl-1,6-naphthyridin-5-ones SYNTEX (U.S.A.) INC. (US) 1995-11-14 US disclosed
EP-0635485-A1 TETRAHYDROPHTHALAMIDE DERIVATIVE, INTERMEDIATE FOR PRODUCING THE SAME, PRODUCTION OF BOTH, AND HERBICIDE CONTAINING THE SAME AS ACTIVE INGREDIENT SAGAMI CHEMICAL RESEARCH CENTER (JP) 1995-01-25 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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 PARP1 1166/4885HTT 2609/4885KDM4E 4342/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 PARP1 1166/4885HTT 2609/4885KDM4E 4342/4885
US-20100234220-A1 Oxooxetanes as Fungicidal Agents CYP51A1, PNPO, AOX1 PARP1 4378/4885HTT 2706/4885KDM4E 1337/4885

“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.