SCHEMBL3062142

SCHEMBL3062142

Cn1nc(C(F)(F)F)c(C(=O)Cl)c1Cl

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CYP1A2 P05177 4/20 0.52
CYP2C19 P33261 3/20 0.52
CYP3A4 P08684 2/20 0.52
POLB P06746 2/20 0.52
ALDH1A1 P00352 1/20 0.52
CYP2C9 P11712 1/20 0.52
LMNA P02545 2/20 0.51
CYP2D6 P10635 2/20 0.41
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
KDM4E B2RXH2 1/20 0.37
RECQL P46063 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL841261 0.86 MEN1 (0.56) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL8261356 0.86 MEN1 (0.56) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL24769905 0.84 MEN1 (0.55) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL5282340 0.84 MEN1 (0.55) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C19
Hydrochloric Acid SCHEMBL6737822 0.84 MEN1 (0.55) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL5092253 0.82 SMN1; SMN2 (0.46) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL4197869 0.82 CYP1A2 (0.46) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL6740724 0.81 MEN1 (0.52) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL841191 0.81 MEN1 (0.56) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C19
SCHEMBL27735788 0.81 POLB (0.44) MEN1KMT2ASMN1; SMN2CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180206498-A1 SUBSTITUTED HETEROARYL CARBOXYLIC ACID HYDRAZIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-07-26 US disclosed
EP-3325467-A1 SUBSTITUTED HETEROARYL CARBOXYLIC ACID HYDRAZIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS Bayer CropScience Aktiengesellschaft (DE) 2018-05-30 EP disclosed
WO-2017012965-A1 SUBSTITUTED HETEROARYL CARBOXYLIC ACID HYDRAZIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-01-26 WO disclosed
CN-105712925-A Substituted sulfamine (sulfo-) carbonyl compound and application thereof 沈阳中化农药化工研发有限公司 2016-06-29 CN disclosed
US-8541406-B2 Thiadiazole derivatives for the treatment of neurodegenerative diseases NV REMYND (BE) 2013-09-24 US disclosed
CN-101817784-B Ethylene derivatives and pesticides containing said derivatives NISSAN CHEMICAL INDUSTRIES CO., LTD. (JP) 2012-02-01 CN disclosed
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2010-10-14 US disclosed
CN-101817784-A Ethene derivatives and the pesticides that contains this derivative NISSAN CHEMICAL IND LTD 2010-09-01 CN disclosed
US-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES NV REMYND (BE) 2009-09-17 US disclosed
US-7566683-B2 Ethylene derivatives and pesticides containing said derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-07-28 US disclosed
US-6462049-B1 LOW TOXICITY AND PERSISTENT INSECTICIDES AND FUNGICIDES; PREVENTING ATTACHMENT OF AQUATIC ORGANISMS; ECOSYSTEM FRIENDLY; NONPOLLUTING NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2002-10-08 US disclosed
CN-1078209-C Substituted thiophene derivative and plant disease prevention and control agent containing same MITSUI TOATSU CHEMICALS (JP) 2002-01-23 CN disclosed
US-6063734-A AGRICULTURAL CHEMICALS, AGENTS FOR PREVENTING ATTACHMENT OF AQUATIC ORGANISMS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-05-16 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-5869427-A Substituted thiophene derivative and plant disease control agent comprising the same as active ingredient MITSUI CHEMICALS, INC. (JP) 1999-02-09 US disclosed
CN-1185437-A Substituted thiophene derivative and plant disease prevention and control agent containing same MITSUI TOATSU CHEMICALS (JP) 1998-06-24 CN disclosed
EP-0841336-A1 Substituted thiopene derivative and plant disease control agent comprising the same as active ingredient MITSUI TOATSU CHEMICALS, Inc. (JP) 1998-05-13 EP disclosed
EP-0199822-B1 PYRAZOLECARBOXAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND BACTERICIDES CONTAINING THEM AS EFFECTIVE INGREDIENTS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-01-10 EP disclosed
US-4742074-A Pyrazolecarboxamide derivative and fungicide containing it as active ingredient SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-05-03 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 (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-20090233911-A2 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MEN1 799/4885KMT2A 1844/4885SMN1; SMN2 4/4885
US-20180206498-A1 SUBSTITUTED HETEROARYL CARBOXYLIC ACID HYDRAZIDES OR SALTS THEREOF AND USE THEREOF TO INCREASE STRESS TOLERANCE IN PLANTS GRHPR, HACL2, PAH MEN1 4774/4885KMT2A 1255/4885SMN1; SMN2 4868/4885
US-20100261707-A9 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 MEN1 799/4885KMT2A 1844/4885SMN1; SMN2 4/4885

“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.