SCHEMBL18199698

SCHEMBL18199698

Cc1ccsc1CN1CCC(C)(C(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 5/20 0.47
CXCR4 P61073 1/20 0.38
LMNA P02545 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 3/20 0.35
POLB P06746 2/20 0.35
TP53 P04637 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 2/20 0.34
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
RIPK1 Q13546 1/20 0.33
RECQL P46063 1/20 0.33
METAP2 P50579 1/20 0.33

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
SCHEMBL10679421 0.76 ALDH1A1 (0.55) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL18416924 0.75 ALDH1A1 (0.38) ALDH1A1KDM4ELMNAKMT2AMEN1
SCHEMBL14139404 0.75 KDM4E (0.46) ALDH1A1KDM4ECXCR4LMNAGAA
SCHEMBL18199701 0.75 HTT (0.55) ALDH1A1KDM4ESMN1; SMN2MAPTPOLB
SCHEMBL18199692 0.73 ALOX15 (0.58) ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL4214925 0.73 ALOX15 (0.48) ALDH1A1KDM4ECXCR4KMT2AMEN1
SCHEMBL10725828 0.73 HTT (0.53) ALDH1A1KDM4ECXCR4SMN1; SMN2POLB
SCHEMBL5749994 0.71 ALDH1A1 (0.50) ALDH1A1KDM4ELMNASMN1; SMN2GAA
SCHEMBL4200341 0.71 CYP11B2 (0.45) ALDH1A1KDM4ECXCR4SMN1; SMN2
SCHEMBL4208866 0.70 CXCR4 (0.58) ALDH1A1KDM4ECXCR4LMNAPOLB

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 11 patents. 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-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-20180016270-A1 DIAZA-BENZOFLUORANTHRENE COMPOUNDS HARBIN PHARMACEUTICAL GROUP CO., LTD. GENERAL PHARMACEUTICAL FACTORY (CN) 2018-01-18 US disclosed
US-20180009820-A1 IMIDAZOLE DERIVATIVE USED AS ANTIVIRAL AGENT AND USE THEREOF IN PREPARATION OF MEDICAMENT SHANDONG DANHONG PHARMACEUTICAL CO., LTD. (CN) 2018-01-11 US disclosed
US-9850251-B2 Imidazole derivative used as antiviral agent and use therof in preparation of medicament SHANDONG DANHONG PHARMACEUTICAL CO., LTD. (CN) 2017-12-26 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-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-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-20180016270-A1 DIAZA-BENZOFLUORANTHRENE COMPOUNDS DDT, CYP3A43, CYP19A1 ALDH1A1 187/4885KDM4E 2128/4885CXCR4 3652/4885
US-20170152259-A1 HYDRAZINE COMPOUND AS BLOOD COAGULATION FACTOR Xa INHIBITOR F12, F10, F11 ALDH1A1 2302/4885KDM4E 1233/4885CXCR4 559/4885
US-20170137420-A1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS P13K INHIBITOR PIK3CA, PIK3CD, PIP5K1B ALDH1A1 1052/4885KDM4E 1612/4885CXCR4 3307/4885
US-20160318943-A1 IMIDAZOLE DERIVATIVE USED AS ANTIVIRAL AGENT AND USE THEROF IN PREPARATION OF MEDICAMENT MAVS, SARS1, IRF3 ALDH1A1 3406/4885KDM4E 3430/4885CXCR4 2634/4885
US-20170174628-A1 PYRIDINE DERIVATIVES AND ANTI-MYCOBACTERIAL USE THEREOF ME3, SSBP1, MDH2 ALDH1A1 2104/4885KDM4E 2492/4885CXCR4 1682/4885
US-20180009820-A1 IMIDAZOLE DERIVATIVE USED AS ANTIVIRAL AGENT AND USE THEREOF IN PREPARATION OF MEDICAMENT MAVS, ZC3HAV1, SARS1 ALDH1A1 1983/4885KDM4E 1987/4885CXCR4 1665/4885
US-10017507-B2 Diaza-benzofluoranthrene compounds DDT, CYP3A43, CYP19A1 ALDH1A1 187/4885KDM4E 2128/4885CXCR4 3652/4885
US-10030029-B2 Imidazole derivative used as antiviral agent and use thereof in preparation of medicament MAVS, ZC3HAV1, SARS1 ALDH1A1 1983/4885KDM4E 1987/4885CXCR4 1665/4885

“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.