SCHEMBL18199697

SCHEMBL18199697

CNCc1ccc(C(C)(C)C)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.37
PTPN7 P35236 1/20 0.37
DUSP3 P51452 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
PRMT6 Q96LA8 3/20 0.36
CARM1 Q86X55 1/20 0.36
HTR7 P34969 1/20 0.36
P2RX7 Q99572 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
PARP1 P09874 1/20 0.34
KIF11 P52732 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PKM P14618 1/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL23775244 0.86 EPHX2 (0.37) EPHX2NR1H4LOXL2PTPN7DUSP3
SCHEMBL296018 0.85 KIF11 (0.49) PTPN7DUSP3P2RX7KIF11HTR2A
SCHEMBL18199695 0.85 PTPN7 (0.46) EPHX2NR1H4LOXL2PTPN7DUSP3
SCHEMBL30841977 0.85 KIF11 (0.49) PTPN7DUSP3P2RX7KIF11HTR2A
SCHEMBL14008889 0.79 HTR7 (0.41) EPHX2NR1H4LOXL2KDM4ECYP3A4
SCHEMBL18800289 0.79 PDE2A (0.41) EPHX2NR1H4MAPTKIF11ALDH1A1
SCHEMBL12085752 0.79 KIF11 (0.37) EPHX2NR1H4PTPN7DUSP3KDM4E
SCHEMBL1585868 0.78 KDM1A (0.44) LOXL2KDM4ECYP3A4MAPTPRMT6
SCHEMBL16957075 0.77 KIF11 (0.36) EPHX2NR1H4PTPN7DUSP3KIF11
SCHEMBL13208381 0.77 KIF11 (0.36) EPHX2NR1H4PTPN7DUSP3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10030029-B2 Imidazole derivative used as antiviral agent and use thereof in preparation of medicament SHANDONG DANHONG PHARMACEUTICAL CO., LTD. (CN) 2018-07-24 US disclosed
US-10017507-B2 Diaza-benzofluoranthrene compounds HARBIN PHARMACEUTICAL GROUP CO., LTD. GENERAL PHARMACEUTICAL FACTORY (CN) 2018-07-10 US disclosed
US-9988361-B2 Anti-enterovirus 71 thiadiazolidine derivative JIANGSU KANION PHARMACEUTICAL CO., LTD. (CN) 2018-06-05 US disclosed
US-9988361-B2 Anti-enterovirus 71 thiadiazolidine derivative JIANGSU KANION PHARMACEUTICAL CO., LTD. (CN) 2018-06-05 US disclosed
US-9938272-B2 Hydrazine compound as blood coagulation factor Xa inhibitor NORTH CHINA PHARMACEUTICAL COMPANY., LTD. (CN) 2018-04-10 US disclosed
US-9938272-B2 Hydrazine compound as blood coagulation factor Xa inhibitor NORTH CHINA PHARMACEUTICAL COMPANY., LTD. (CN) 2018-04-10 US disclosed
US-9878982-B2 Pyridine derivatives and anti-mycobacterial use thereof CISEN PHARMACEUTICAL CO., LTD. (CN) 2018-01-30 US disclosed
US-9878982-B2 Pyridine derivatives and anti-mycobacterial use thereof CISEN PHARMACEUTICAL CO., LTD. (CN) 2018-01-30 US disclosed
US-20180016270-A1 DIAZA-BENZOFLUORANTHRENE COMPOUNDS HARBIN PHARMACEUTICAL GROUP CO., LTD. GENERAL PHARMACEUTICAL FACTORY (CN) 2018-01-18 US disclosed
US-9868737-B2 Pyridino[1,2-A]pyrimidone analogue used as MTOR/P13K inhibitor CISEN PHARMACEUTICAL CO., LTD. (CN) 2018-01-16 US disclosed
US-20170174628-A1 PYRIDINE DERIVATIVES AND ANTI-MYCOBACTERIAL USE THEREOF CISEN PHARMACEUTICAL CO., LTD. (CN) 2017-06-22 US disclosed
US-20170152259-A1 HYDRAZINE COMPOUND AS BLOOD COAGULATION FACTOR Xa INHIBITOR NORTH CHINA PHARMACEUTICAL COMPANY., LTD. (CN) 2017-06-01 US disclosed
US-20170152259-A1 HYDRAZINE COMPOUND AS BLOOD COAGULATION FACTOR Xa INHIBITOR NORTH CHINA PHARMACEUTICAL COMPANY., LTD. (CN) 2017-06-01 US disclosed
US-20170137420-A1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS P13K INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-05-18 US disclosed
US-20170137420-A1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS P13K INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-05-18 US disclosed
US-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE Jiangsu Kanion pharmaceutical CO. LTD (CN) 2017-03-09 US disclosed
US-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE Jiangsu Kanion pharmaceutical CO. LTD (CN) 2017-03-09 US disclosed
US-20170029430-A1 ANALOGUES OF 4H-PYRAZOLO[1,5-a] BENZIMIDAZOLE COMPOUND AS PARP INHIBITORS HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE INC. (CN) 2017-02-02 US disclosed
US-20170029430-A1 ANALOGUES OF 4H-PYRAZOLO[1,5-a] BENZIMIDAZOLE COMPOUND AS PARP INHIBITORS HUBEI BIO-PHARMACEUTICAL INDUSTRIAL TECHNOLOGICAL INSTITUTE INC. (CN) 2017-02-02 US disclosed
US-20160318943-A1 IMIDAZOLE DERIVATIVE USED AS ANTIVIRAL AGENT AND USE THEROF IN PREPARATION OF MEDICAMENT SHANDONG DANHONG PHARMACEUTICAL CO., LTD. (CN) 2016-11-03 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 (9 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-20180016270-A1 DIAZA-BENZOFLUORANTHRENE COMPOUNDS DDT, CYP3A43, CYP19A1 EPHX2 3578/4885NR1H4 1943/4885LOXL2 3343/4885
US-20170152259-A1 HYDRAZINE COMPOUND AS BLOOD COAGULATION FACTOR Xa INHIBITOR F12, F10, F11 EPHX2 1438/4885NR1H4 2255/4885LOXL2 2029/4885
US-20170029430-A1 ANALOGUES OF 4H-PYRAZOLO[1,5-a] BENZIMIDAZOLE COMPOUND AS PARP INHIBITORS PARP1, PARP2, PARP11 EPHX2 4530/4885NR1H4 4496/4885LOXL2 4347/4885
US-20170137420-A1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS P13K INHIBITOR PIK3CA, PIK3CD, PIP5K1B EPHX2 4322/4885NR1H4 4368/4885LOXL2 4437/4885
US-20160318943-A1 IMIDAZOLE DERIVATIVE USED AS ANTIVIRAL AGENT AND USE THEROF IN PREPARATION OF MEDICAMENT MAVS, SARS1, IRF3 EPHX2 4718/4885NR1H4 1887/4885LOXL2 4070/4885
US-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE EIF2AK2, GTF3C5, GTF3C1 EPHX2 3339/4885NR1H4 2267/4885LOXL2 3652/4885
US-20170174628-A1 PYRIDINE DERIVATIVES AND ANTI-MYCOBACTERIAL USE THEREOF ME3, SSBP1, MDH2 EPHX2 4370/4885NR1H4 3274/4885LOXL2 3505/4885
US-10017507-B2 Diaza-benzofluoranthrene compounds DDT, CYP3A43, CYP19A1 EPHX2 3578/4885NR1H4 1943/4885LOXL2 3343/4885
US-10030029-B2 Imidazole derivative used as antiviral agent and use thereof in preparation of medicament MAVS, ZC3HAV1, SARS1 EPHX2 4689/4885NR1H4 1662/4885LOXL2 4600/4885

“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.