SCHEMBL20558581

SCHEMBL20558581

FC(F)(F)c1ccccc1Cl.N=C=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
HSD11B1 P28845 1/20 0.40
KCNN4 O15554 1/20 0.39
SLC22A12 Q96S37 2/20 0.39
AR P10275 2/20 0.39
KCNJ5 P48544 1/20 0.38
KCNJ3 P48549 1/20 0.38
PYCR1 P32322 1/20 0.37
PTGS2 P35354 1/20 0.37
KDR P35968 1/20 0.37
TYK2 P29597 1/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.36
CYP19A1 P11511 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
SCHEMBL3720952 0.89 GAA (0.42) MEN1KMT2AKDM4EGAAALDH1A1
Isothiocyanate SCHEMBL1219403 0.88 HSD11B1 (0.40) MEN1KMT2AKDM4EGAAALDH1A1
SCHEMBL29467226 0.87 KCNN4 (0.48) MEN1KMT2AGAAALDH1A1HSD11B1
SCHEMBL5966718 0.87 KCNN4 (0.48) MEN1KMT2AGAAALDH1A1HSD11B1
SCHEMBL117692 0.87 KCNN4 (0.48) MEN1KMT2AGAAALDH1A1HSD11B1
SCHEMBL29057192 0.84 KCNN4 (0.46) MEN1KMT2AKDM4EALDH1A1HSD11B1
Benzene SCHEMBL29136712 0.84 KCNN4 (0.52) MEN1KMT2AKDM4EALDH1A1HSD11B1
SCHEMBL5607381 0.84 KCNN4 (0.46) MEN1KMT2AKDM4EALDH1A1HSD11B1
Ammonia Solution, Strong SCHEMBL15562823 0.84 KCNN4 (0.46) MEN1KMT2AKDM4EALDH1A1HSD11B1
SCHEMBL4463108 0.84 KCNN4 (0.46) MEN1KMT2AKDM4EALDH1A1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110885298-B Synthesis method of 4-chloro-3- (trifluoromethyl) phenylisocyanate 山东金城医药化工有限公司 2022-05-10 CN claimed
WO-2022057164-A1 PREPARATION METHOD FOR MULTI-TARGET ANTI-TUMOR DRUG 广州南鑫药业有限公司 2022-03-24 WO claimed
CN-110885298-A Synthesis method of 4-chloro-3- (trifluoromethyl) phenylisocyanate 山东金城医药化工有限公司 2020-03-17 CN claimed
EP-3403651-B1 ISOCORYDINE DERIVATIVES, PREPARATION METHOD AND USE THEREOF LANZHOU INST CHEMICAL PHYSICS CAS (CN) 2019-10-30 EP claimed
US-20180334448-A1 Isocorydine derivatives, preparation method and use thereof LANZHOU INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2018-11-22 US claimed
EP-3403651-A1 ISOCORYDINE DERIVATIVES, PREPARATION METHOD AND USE THEREOF Lanzhou Institute Of Chemical Physics Chinese Academy of Sciences (CN) 2018-11-21 EP claimed
CN-102558144-A Aryl urea derivatives UNIV PEKING FOUNDER GROUP CO 2012-07-11 CN claimed
CN-102532113-A Aryl urea derivative UNIV PEKING FOUNDER GROUP CO 2012-07-04 CN claimed
CN-118108667-A Preparation method of regorafenib 南京法恩化学有限公司 2024-05-31 CN disclosed
CN-116574035-B Peach girder phenol derivative containing carbamate, preparation method and application 扬州大学 2024-03-08 CN disclosed
CN-116574035-A Peach girder phenol derivative containing carbamate, preparation method and application 扬州大学 2023-08-11 CN disclosed
CN-114380874-A Macrolide antibiotics and preparation method and application thereof 中国医学科学院医药生物技术研究所 2022-04-22 CN disclosed
WO-2022057164-A1 PREPARATION METHOD FOR MULTI-TARGET ANTI-TUMOR DRUG 广州南鑫药业有限公司 2022-03-24 WO disclosed
CN-108148058-B 4- (2-mercaptothiadiazole) substituted pyrimidine derivative, and preparation method and application thereof 中国人民解放军第四军医大学 2021-03-16 CN disclosed
EP-3403651-A1 ISOCORYDINE DERIVATIVES, PREPARATION METHOD AND USE THEREOF Lanzhou Institute Of Chemical Physics Chinese Academy of Sciences (CN) 2018-11-21 EP disclosed
CN-105008323-B Plasminogen activator inhibitor-1 inhibitors and methods of use thereof 密歇根大学董事会 2018-11-06 CN disclosed
CN-108148058-A A kind of pyrimidine derivatives preparation method of 4- (2- dimercaptothiodiazoles) substitution and application 中国人民解放军第四军医大学 2018-06-12 CN disclosed
CN-102558144-A Aryl urea derivatives UNIV PEKING FOUNDER GROUP CO 2012-07-11 CN disclosed
CN-102553642-A Catalyst and preparation method for sorafenib intermediate CEC MEDICAL TECHNOLOGY CO LTD 2012-07-11 CN disclosed
CN-102532113-A Aryl urea derivative UNIV PEKING FOUNDER GROUP CO 2012-07-04 CN 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 (1 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-20180334448-A1 Isocorydine derivatives, preparation method and use thereof CCND2, CCND3, IDH3A MEN1 187/4885KMT2A 2096/4885KDM4E 3085/4885

“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.