Sugi Predict

Sugi Predict / Compounds / SCHEMBL18459002

SCHEMBL18459002

SCHEMBL18459002

CC(C)(C)C1(C)CCN(CCC#N)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ PKM P14618 1/20 0.47
▸ POLB P06746 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GAA P10253 3/20 0.36
▸ TSHR P16473 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HTT P42858 1/20 0.33
▸ JAK1 P23458 2/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL18416947 0.91 ALDH1A1 (0.54) ALDH1A1PKMPOLBSMN1; SMN2GAA
SCHEMBL18202994 0.79 ALDH1A1 (0.52) ALDH1A1PKMPOLBSMN1; SMN2GAA
SCHEMBL18199658 0.77 S1PR4 (0.33) —
SCHEMBL18199656 0.76 OPRM1 (0.30) —
SCHEMBL12424325 0.75 ALDH1A1 (0.62) ALDH1A1PKMPOLBSMN1; SMN2GAA
SCHEMBL18416929 0.74 HSD11B1 (0.35) —
SCHEMBL18416928 0.73 CNR2 (0.30) —
SCHEMBL18199651 0.72 TSHR (0.40) GAATSHR
SCHEMBL24854255 0.72 ALDH1A1 (0.48) ALDH1A1PKMPOLBSMN1; SMN2GAA
SCHEMBL21254486 0.72 ALDH1A1 (0.58) ALDH1A1PKMPOLBSMN1; SMN2GAA

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 13 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-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-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-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 — — US disclosed
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-09-07 — — US disclosed
US-20170240519-A1 BENZOFURAN ANALOGUE AS NS4B INHIBITOR CHANGZHOU YINSHENG PHARMACEUTICAL CO., LTD. (CN) 2017-08-24 — — 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-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

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 ALDH1A1 187/4885PKM 571/4885POLB 2732/4885
US-20170152259-A1 HYDRAZINE COMPOUND AS BLOOD COAGULATION FACTOR Xa INHIBITOR F12, F10, F11 ALDH1A1 2302/4885PKM 3483/4885POLB 3182/4885
US-20170253614-A1 HEPATITIS C VIRUS INHIBITORS AND USES THEREOF IN PREPARATION OF DRUGS HAVCR2, HCCS, LIPC ALDH1A1 1148/4885PKM 3543/4885POLB 2951/4885
US-20170240519-A1 BENZOFURAN ANALOGUE AS NS4B INHIBITOR GTF3C4, BRD4, CUL4B ALDH1A1 2010/4885PKM 4496/4885POLB 307/4885
US-20170029430-A1 ANALOGUES OF 4H-PYRAZOLO[1,5-a] BENZIMIDAZOLE COMPOUND AS PARP INHIBITORS PARP1, PARP2, PARP11 ALDH1A1 114/4885PKM 582/4885POLB 66/4885
US-20170137420-A1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS P13K INHIBITOR PIK3CA, PIK3CD, PIP5K1B ALDH1A1 1052/4885PKM 745/4885POLB 1083/4885
US-20170066732-A1 ANTI-ENTEROVIRUS 71 THIADIAZOLIDINE DERIVATIVE EIF2AK2, GTF3C5, GTF3C1 ALDH1A1 1424/4885PKM 3681/4885POLB 3155/4885
US-10017507-B2 Diaza-benzofluoranthrene compounds DDT, CYP3A43, CYP19A1 ALDH1A1 187/4885PKM 571/4885POLB 2732/4885
US-10030029-B2 Imidazole derivative used as antiviral agent and use thereof in preparation of medicament MAVS, ZC3HAV1, SARS1 ALDH1A1 1983/4885PKM 1651/4885POLB 1960/4885

“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.