SCHEMBL3578797

SCHEMBL3578797

Cc1nn(C)c(C(=O)Cl)c1Cl

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 6/20 0.53
ALDH1A1 P00352 6/20 0.53
KMT2A Q03164 2/20 0.49
GALR3 O60755 1/20 0.49
NR2F2 P24468 1/20 0.49
RAB9A P51151 1/20 0.49
GAA P10253 2/20 0.44
ALPL P05186 2/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
ALPI P09923 1/20 0.42
ALPG P10696 1/20 0.42

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
SCHEMBL15209096 0.84 KDM4E (0.59) KDM4ESMN1; SMN2LMNAALDH1A1KMT2A
SCHEMBL2373838 0.83 KDM4E (0.62) KDM4ESMN1; SMN2LMNAALDH1A1KMT2A
SCHEMBL9410482 0.82 KDM4E (0.66) KDM4ESMN1; SMN2LMNAALDH1A1KMT2A
Hydrochloric Acid SCHEMBL8307320 0.82 KDM4E (0.61) KDM4ESMN1; SMN2LMNAALDH1A1KMT2A
SCHEMBL3056019 0.81 KDM4E (0.46) KDM4ESMN1; SMN2LMNAALDH1A1KMT2A
SCHEMBL27995184 0.79 KDM4E (0.44) KDM4ESMN1; SMN2LMNAALDH1A1KMT2A
SCHEMBL9151554 0.78 SMN1; SMN2 (0.48) KDM4ESMN1; SMN2LMNAALDH1A1KMT2A
SCHEMBL8310828 0.76 KDM4E (0.58) KDM4ESMN1; SMN2LMNAALDH1A1KMT2A
SCHEMBL18382969 0.75 KDM4E (0.41) KDM4ESMN1; SMN2LMNAALDH1A1KMT2A
SCHEMBL9043817 0.75 LMNA (0.45) KDM4ESMN1; SMN2LMNAALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0952842-A2 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 1999-11-03 EP claimed
WO-1997038664-A2 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1997-10-23 WO claimed
JP-9100277-A None JP disclosed
CN-110818637-B Substituted amide compound and preparation method and application thereof 山东省联合农药工业有限公司 2021-03-30 CN disclosed
CN-110818637-A Substituted amide compound and preparation method and application thereof 山东省联合农药工业有限公司 2020-02-21 CN disclosed
US-10556888-B2 Pyrazole compounds or salts thereof, preparation methods therefor, herbicidal compositions and use thereof QINGDAO KINGAGROOT CHEMICAL COMPOUNDS CO., LTD. (CN) 2020-02-11 US disclosed
US-20180105513-A1 PYRAZOLE COMPOUNDS OR SALTS THEREOF, PREPARATION METHODS THEREFOR, HERBICIDAL COMPOSITIONS AND USE THEREOF QINGDAO KINGAGROOT CHEMICAL COMPOUNDS CO., LTD. (CN) 2018-04-19 US disclosed
US-9856240-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2018-01-02 US disclosed
EP-2636669-B1 PYRAZOLE AMIDE COMPOUND AND USE THEREOF AS FUNGICIDE SINOCHEM CORP (CN) 2015-10-21 EP disclosed
US-20140256745-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2014-09-11 US disclosed
US-20140256745-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2014-09-11 US disclosed
JP-H09100277-A NEW TETRAZOLINONE DERIVATIVE AND HERBICIDE NISSAN CHEM IND LTD 1997-04-15 JP disclosed
EP-0405808-B1 Phenoxyalkylamine derivatives and insecticides, acaricides and fungicides UBE INDUSTRIES (JP) 1995-01-11 EP disclosed
US-5366991-A Agriculture ENI CHEM SYNTHESIS S.P.A. (IT) 1994-11-22 US disclosed
EP-0590720-A1 Pyrazolecarboxamides exhibiting insecticidal and acaricidal activity MINISTERO DELL' UNIVERSITA' E DELLA RICERCA SCIENTIFICA E TECNOLOGICA (IT) 1994-04-06 EP disclosed
US-5264448-A Thioamides, oxazole ring, insecticides, miticides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-11-23 US disclosed
US-5206259-A Insecticides, acaricides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-04-27 US disclosed
US-5039692-A Phenoxyalkylamine derivatives, and insecticides, acaricides and fungicides UBE INDUSTRIES, LTD. (JP) 1991-08-13 US disclosed
EP-0405808-A1 Phenoxyalkylamine derivatives and insecticides, acaricides and fungicides UBE INDUSTRIES, LTD. (JP) 1991-01-02 EP disclosed
EP-0394043-A1 An amide compound and its production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-10-24 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-10556888-B2 Pyrazole compounds or salts thereof, preparation methods therefor, herbicidal compositions and use thereof WEE1, CYP4F11, SLC39A11 KDM4E 3994/4885SMN1; SMN2 4764/4885LMNA 3596/4885
US-20140256745-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 KDM4E 4057/4885SMN1; SMN2 854/4885LMNA 1306/4885
US-20180105513-A1 PYRAZOLE COMPOUNDS OR SALTS THEREOF, PREPARATION METHODS THEREFOR, HERBICIDAL COMPOSITIONS AND USE THEREOF WEE1, CYP4F11, SLC39A11 KDM4E 3994/4885SMN1; SMN2 4764/4885LMNA 3596/4885

“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.