SCHEMBL3540937

SCHEMBL3540937

O=C(O)c1c(C(F)(F)F)ccnc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 4/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TYK2 P29597 1/20 0.39
ASPH Q12797 2/20 0.38
KDM4E B2RXH2 1/20 0.37
KDM8 Q8N371 1/20 0.37
S1PR3 Q99500 1/20 0.37
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4A O75164 1/20 0.36
KDM5A P29375 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
SORT1 Q99523 1/20 0.36
RORC P51449 2/20 0.36
PPARG P37231 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
GRM4 Q14833 1/20 0.35
AKR1C3 P42330 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
SCHEMBL30613704 1.00 KMO (0.43) KMOLMNASMN1; SMN2TYK2ASPH
SCHEMBL28281719 0.86 TYK2 (0.39) KMOLMNASMN1; SMN2TYK2S1PR3
SCHEMBL27592637 0.84 TYK2 (0.38) KMOTYK2S1PR3HTTHSD17B10
SCHEMBL28764418 0.82 GLRA3 (0.43) KMOLMNASMN1; SMN2ASPHKDM4E
SCHEMBL8288534 0.81 SMN1; SMN2 (0.41) KMOLMNASMN1; SMN2TYK2ASPH
SCHEMBL6381481 0.80 ATR (0.44) TYK2KDM4ES1PR3HSD17B10
SCHEMBL1699267 0.80 NAPRT (0.43) KMOTYK2ASPHKDM4EKDM8
SCHEMBL15880100 0.79 HSD17B10 (0.43) KMOASPHKDM4EKDM8HTT
SCHEMBL14907699 0.79 KMO (0.41) KMOSMN1; SMN2TYK2ASPHKDM4E
SCHEMBL148901 0.79 AAK1 (0.44) KMOASPHKDM4EKDM8HTT

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
CN-106771303-A One kind is for analyzing conveying device and its method of work in heavy metal-polluted soil sample injector 徐州工程学院 2017-05-31 CN claimed
US-20250263408-A1 SPLEEN TYROSINE KINASE INHIBITORS UNIQUEST PTY LTD (AU) 2025-08-21 US disclosed
US-20250066368-A1 DNA POLYMERASE THETA INHIBITOR AND USE THEREOF SHANGHAI APEIRON THERAPEUTICS COMPANY LIMITED (CN) 2025-02-27 US disclosed
CN-118894856-A Pyrazole-containing polycyclic derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-11-05 CN disclosed
CN-118894855-A Pyrazole-containing polycyclic derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-11-05 CN disclosed
EP-4455129-A1 DNA POLYMERASE THETA INHIBITOR AND USE THEREOF Shanghai Apeiron Therapeutics Company Limited (CN) 2024-10-30 EP disclosed
CN-118451067-A DNA polymerase theta inhibitor and application thereof 上海湃隆生物科技有限公司 2024-08-06 CN disclosed
CN-114222746-B Pyrazole-containing polycyclic derivative inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-08-02 CN disclosed
WO-2023193054-A1 SPLEEN TYROSINE KINASE INHIBITORS UNIQUEST PTY LTD (AU) 2023-10-12 WO disclosed
WO-2023125918-A1 DNA POLYMERASE THETA INHIBITOR AND USE THEREOF 上海湃隆生物科技有限公司 2023-07-06 WO disclosed
WO-2014113303-A1 4-FLUOROPIPERIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-07-24 WO disclosed
WO-2014113303-A1 4-FLUOROPIPERIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2014-07-24 WO disclosed
CN-103694168-A Method for preparing 6-chlorine-4-trifluoromethyl-3-cyanopyridine GUIZHOU WYLTON JINGLIN ELECTRONIC MATERIALS CO LTD 2014-04-02 CN disclosed
EP-1893566-B1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA MERCK SHARP & DOHME (GB) 2013-02-13 EP disclosed
US-7851638-B2 Cyclohexanesulfonyl derivatives as GLYT1 inhibitors to treat schizophrenia MERCK SHARP & DOHME LIMITED (GB) 2010-12-14 US disclosed
US-20100029726-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA MERCK SHARP & DOHME (UK) LIMITED (GB) 2010-02-04 US disclosed
US-7626056-B2 2,4-Dichloro-N-(4-cyclopropylmethanesulfonyl-1-cyclopropylmethylcyclohexyl-methyl) benzamide; glutamatergic neurotransmission dysfunction and diseases; dementia; antidepressants; learning enhancement; cognition activators; attention deficit disorders; autism; eating disorders; anxiolytic agents MERCK SHARP & DOHME LIMITED (GB) 2009-12-01 US disclosed
EP-1893566-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA MERCK SHARP & DOHME LTD. (GB) 2008-03-05 EP disclosed
WO-2006131711-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA MERCK SHARP & DOHME LIMITED (GB) 2006-12-14 WO disclosed
US-20060276655-A1 Cyclohexanesulfonyl derivatives as GlyT1 inhibitors to treat schizophrenia MERCK SHARP & DOHME (UK) LIMITED (GB) 2006-12-07 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 (4 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-20060276655-A1 Cyclohexanesulfonyl derivatives as GlyT1 inhibitors to treat schizophrenia GLRA1, GNMT, MGAT1 KMO 489/4885LMNA 4558/4885SMN1; SMN2 4074/4885
US-20250066368-A1 DNA POLYMERASE THETA INHIBITOR AND USE THEREOF POLQ, POLB, POLM KMO 3441/4885LMNA 718/4885SMN1; SMN2 2924/4885
US-20250263408-A1 SPLEEN TYROSINE KINASE INHIBITORS LCK, BTK, SYK KMO 281/4885LMNA 4746/4885SMN1; SMN2 2385/4885
US-20100029726-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA GLRA1, GNMT, MGAT1 KMO 489/4885LMNA 4558/4885SMN1; SMN2 4074/4885

“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.