SCHEMBL2834492

SCHEMBL2834492

COC(=O)c1ccc(-c2nnn[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
ALDH1A1 P00352 3/20 0.56
LMNA P02545 3/20 0.50
NPC1 O15118 1/20 0.50
PKM P14618 1/20 0.50
HPGD P15428 1/20 0.50
NFKB1 P19838 1/20 0.50
RAB9A P51151 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GRK6 P43250 1/20 0.48
RHEB Q15382 1/20 0.47
TNKS O95271 1/20 0.47
MAPK1 P28482 1/20 0.47
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
CA1 P00915 3/20 0.46

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
SCHEMBL2512905 0.88 KDM4E (0.48) KDM4EALDH1A1LMNANPC1PKM
SCHEMBL18719838 0.86 LMNA (0.66) KDM4EALDH1A1LMNANPC1PKM
SCHEMBL1505455 0.82 GABRG2 (0.50) ALDH1A1NPC1HPGDRAB9ACA1
SCHEMBL7432657 0.81 XDH (0.51) LMNANPC1PKMHPGDRAB9A
SCHEMBL17303478 0.81 LMNA (0.37) KDM4EALDH1A1LMNANPC1PKM
SCHEMBL3658350 0.81 MAPT (0.45) KDM4EALDH1A1LMNANPC1HPGD
SCHEMBL2819906 0.80 KDM4E (0.50) KDM4EALDH1A1NPC1HPGDRAB9A
SCHEMBL30807521 0.79 HPGDS (0.55) KDM4EALDH1A1NPC1HPGDRAB9A
SCHEMBL27141845 0.79 HPGDS (0.55) KDM4EALDH1A1NPC1HPGDRAB9A
SCHEMBL733150 0.79 GABRG2 (0.44) KDM4EALDH1A1SMN1; SMN2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3762367-A1 HETEROCYCLIC COMPOUNDS AS FUNGICIDES PI Industries Ltd. (IN) 2021-01-13 EP disclosed
US-20210002232-A1 HETEROCYCLIC COMPOUNDS AS FUNGICIDES PI INDUSTRIES LTD. (IN) 2021-01-07 US disclosed
US-20210002232-A1 HETEROCYCLIC COMPOUNDS AS FUNGICIDES PI INDUSTRIES LTD. (IN) 2021-01-07 US disclosed
WO-2019171234-A9 HETEROCYCLIC COMPOUNDS AS FUNGICIDES PI INDUSTRIES LTD. (IN) 2020-01-09 WO disclosed
WO-2019171234-A9 HETEROCYCLIC COMPOUNDS AS FUNGICIDES PI INDUSTRIES LTD. (IN) 2020-01-09 WO disclosed
WO-2019171234-A1 HETEROCYCLIC COMPOUNDS AS FUNGICIDES PI INDUSTRIES LTD. (IN) 2019-09-12 WO disclosed
WO-2019171234-A1 HETEROCYCLIC COMPOUNDS AS FUNGICIDES PI INDUSTRIES LTD. (IN) 2019-09-12 WO disclosed
EP-2492262-B1 FUSED HETEROCYCLIC COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR NISSAN CHEMICAL IND LTD (JP) 2016-04-20 EP disclosed
CN-103641820-B Tetrazolium imines coumarins copper ion fluorescence probe and preparation method thereof NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2016-01-20 CN disclosed
US-8889732-B2 Fused heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2014-11-18 US disclosed
US-20120209005-A1 FUSED HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-08-16 US disclosed
US-20100168101-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2010-07-01 US disclosed
US-7696231-B2 Oxindole hydrazide modulators of protein tyrosine phosphatases (PTPs) LABORATOIRES SERONO SA (CH) 2010-04-13 US disclosed
US-7229987-B2 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes ELI LILLY AND COMPANY (US) 2007-06-12 US disclosed
US-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes AMMENN ET AL, JOCHEN 2005-12-08 US disclosed
US-20050043388-A1 Oxindole hydrazide modulators of protein tyrosine phosphatases (ptps) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. 2005-02-24 US disclosed
EP-1505968-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2005-02-16 EP disclosed
EP-1439834-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-07-28 EP disclosed
WO-2003097047-A1 MULTICYCLIC COMPOUNDS FOR USE AS MELANIN CONCENTRATING HORMONE ANTAGONISTS IN THE TREATMENT OF OBESITY AND DIABETES ELI LILLY AND COMPANY (US) 2003-11-27 WO disclosed
WO-2003037328-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2003-05-08 WO 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 (5 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-20120209005-A1 FUSED HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS MPL, TEK, THPO KDM4E 4664/4885ALDH1A1 2398/4885LMNA 1285/4885
US-20210002232-A1 HETEROCYCLIC COMPOUNDS AS FUNGICIDES CYP1A2, CYP1B1, CYP1A1 KDM4E 1965/4885ALDH1A1 120/4885LMNA 2446/4885
US-20050043388-A1 Oxindole hydrazide modulators of protein tyrosine phosphatases (ptps) PTPRO, PTPRE, PTPRZ1 KDM4E 2215/4885ALDH1A1 774/4885LMNA 4869/4885
US-20050272718-A1 Multicyclic compounds for use as melanin concentrating hormone antagonists in the treatment of obesity and diabetes MC1R, MC4R, MC5R KDM4E 2751/4885ALDH1A1 716/4885LMNA 3898/4885
US-20100168101-A1 OXINDOLE HYDRAZIDE MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) PTPRO, PTPRE, PTPRZ1 KDM4E 2146/4885ALDH1A1 798/4885LMNA 4869/4885

“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.