SCHEMBL18199701

SCHEMBL18199701

CC(C)(C)C1(C)CCN(Cc2cccs2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
DRD4 P21917 10/20 0.50
DRD3 P35462 7/20 0.50
SIGMAR1 Q99720 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
HSD17B10 Q99714 2/20 0.47
DRD2 P14416 5/20 0.47
DRD5 P21918 4/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
DRD1 P21728 1/20 0.44
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 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
SCHEMBL18202990 0.84 HTT (0.62) HTTDRD4DRD3SIGMAR1SMN1; SMN2
SCHEMBL17176552 0.80 HTT (0.57) HTTDRD4DRD3SIGMAR1SMN1; SMN2
SCHEMBL19323807 0.79 HTT (0.55) HTTDRD4DRD3SIGMAR1SMN1; SMN2
SCHEMBL31653519 0.78 HTT (0.62) HTTDRD4DRD3SIGMAR1SMN1; SMN2
SCHEMBL7654044 0.75 HTT (0.68) HTTDRD4DRD3SIGMAR1SMN1; SMN2
SCHEMBL12384773 0.75 PARG (0.35) ALDH1A1
SCHEMBL18199698 0.75 ALDH1A1 (0.47) HTTSMN1; SMN2KDM4EALDH1A1POLB
SCHEMBL7050984 0.75 HTT (0.72) HTTDRD4DRD3SIGMAR1SMN1; SMN2
SCHEMBL21581203 0.74 DRD4 (0.59) HTTDRD4DRD3SIGMAR1SMN1; SMN2
SCHEMBL13374357 0.74 HTT (0.57) HTTDRD4DRD3SIGMAR1SMN1; SMN2

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 29 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-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-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-20170174628-A1 PYRIDINE DERIVATIVES AND ANTI-MYCOBACTERIAL USE THEREOF CISEN PHARMACEUTICAL CO., LTD. (CN) 2017-06-22 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-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 (8 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-20170152259-A1 HYDRAZINE COMPOUND AS BLOOD COAGULATION FACTOR Xa INHIBITOR F12, F10, F11 HTT 1776/4885DRD4 2872/4885DRD3 1665/4885
US-20170029430-A1 ANALOGUES OF 4H-PYRAZOLO[1,5-a] BENZIMIDAZOLE COMPOUND AS PARP INHIBITORS PARP1, PARP2, PARP11 HTT 2240/4885DRD4 3941/4885DRD3 3807/4885
US-20170137420-A1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS P13K INHIBITOR PIK3CA, PIK3CD, PIP5K1B HTT 4231/4885DRD4 3304/4885DRD3 3748/4885
US-20160318943-A1 IMIDAZOLE DERIVATIVE USED AS ANTIVIRAL AGENT AND USE THEROF IN PREPARATION OF MEDICAMENT MAVS, SARS1, IRF3 HTT 3527/4885DRD4 2684/4885DRD3 3290/4885
US-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE EIF2AK2, GTF3C5, GTF3C1 HTT 4098/4885DRD4 1552/4885DRD3 2099/4885
US-20170174628-A1 PYRIDINE DERIVATIVES AND ANTI-MYCOBACTERIAL USE THEREOF ME3, SSBP1, MDH2 HTT 4384/4885DRD4 2312/4885DRD3 3392/4885
US-10017507-B2 Diaza-benzofluoranthrene compounds DDT, CYP3A43, CYP19A1 HTT 141/4885DRD4 2456/4885DRD3 2475/4885
US-10030029-B2 Imidazole derivative used as antiviral agent and use thereof in preparation of medicament MAVS, ZC3HAV1, SARS1 HTT 4491/4885DRD4 1384/4885DRD3 2957/4885

“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.