SCHEMBL1090093

SCHEMBL1090093

CC(C)NN1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.42
PKM P14618 1/20 0.42
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
ALDH1A1 P00352 3/20 0.34
CYP2D6 P10635 1/20 0.32
MGLL Q99685 1/20 0.32
HTT P42858 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK1 P28482 1/20 0.32
EPHX2 P34913 1/20 0.32
USP2 O75604 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
SCHEMBL15928260 0.85
SCHEMBL15845026 0.80 SMN1; SMN2 (0.40) SMN1; SMN2PKMNPC1RAB9ACA12
SCHEMBL19860500 0.80
SCHEMBL1090762 0.77
SCHEMBL2917196 0.77
SCHEMBL1090578 0.75 L3MBTL1 (0.34)
SCHEMBL1090101 0.75 L3MBTL1 (0.34)
SCHEMBL8378379 0.73 CA12 (0.34) SMN1; SMN2PKMNPC1RAB9ACA12
SCHEMBL1800872 0.72 SMN1; SMN2 (0.42) SMN1; SMN2PKMNPC1RAB9ACA12
SCHEMBL1090570 0.70 CA12 (0.38) CA12CA1CA2CA9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-11213515-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2022-01-04 US disclosed
EP-3184521-B1 INDAZOLE COMPOUNDS AS FGFR KINASE INHIBITORS, PREPARATION AND USE THEREOF SHANGHAI HAIHE PHARMACEUTICAL CO LTD (CN) 2021-10-06 EP disclosed
WO-2021097352-A1 ISOXAZOLE DERIVATIVES TARGETING TACC3 AS ANTICANCER AGENTS A2A PHARMACEUTICALS, INC. (US) 2021-05-20 WO disclosed
US-20210147385-A1 COMPOUNDS AND METHODS FOR TARGETING PATHOGENIC BLOOD VESSELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-05-20 US disclosed
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2020-12-22 US disclosed
US-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE SHY Therapeutics LLC 2019-07-18 US disclosed
EP-2773634-B1 ROD-LIKE HEPATITIS C VIRUS INHIBITORS CONTAINING THE FRAGEMENT {2-[4-(BIPHENYL-4-YL)-1H-IMIDAZO-2-YL]PYRROLIDINE-1-CARBONLYMETHYL}AMINE THERAVANCE BIOPHARMA R&D IP LLC (US) 2018-06-06 EP disclosed
US-9669027-B2 Hepatitis C virus inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-06-06 US disclosed
US-9669027-B2 Hepatitis C virus inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-06-06 US disclosed
US-8153626-B2 Substituted diazepine sulfonamides as bombesin receptor subtype-3 modulators MERCK SHARP & DOHME CORP. (US) 2012-04-10 US disclosed
WO-2011046970-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON MYREXIS, INC. (US) 2011-04-21 WO disclosed
US-20100317645-A1 SUBSTITUTED DIAZEPINE SULFONAMIDES AS BOMBESIN RECEPTOR SUBTYPE-1 MODULATORS MERCK SHARP & DOHME LLC 2010-12-16 US disclosed
US-20100317645-A1 SUBSTITUTED DIAZEPINE SULFONAMIDES AS BOMBESIN RECEPTOR SUBTYPE-1 MODULATORS MERCK SHARP & DOHME LLC 2010-12-16 US disclosed
US-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF TORAY INDUSTRIES, INC. A CORPORATION OF JAPAN (JP) 2010-01-21 US disclosed
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 US disclosed
US-7517998-B2 Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2009-04-14 US disclosed
US-7517998-B2 Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2009-04-14 US disclosed
US-20080058312-A1 Modulators of hepatocyte growth factor/c-Met activity ANGION BIOMEDICA CORPORATION (US) 2008-03-06 US disclosed
US-20080058312-A1 Modulators of hepatocyte growth factor/c-Met activity ANGION BIOMEDICA CORPORATION (US) 2008-03-06 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-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE MAPK1, MAPK6, MAP3K1 SMN1; SMN2 4558/4885PKM 1222/4885NPC1 2556/4885
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 SMN1; SMN2 4331/4885PKM 1484/4885NPC1 2024/4885
US-20100016319-A1 ARYLMETHYLENE UREA DERIVATIVE AND USE THEREOF UROD, UTS2R, SLC14A1 SMN1; SMN2 1714/4885PKM 1268/4885NPC1 3662/4885
US-20100317645-A1 SUBSTITUTED DIAZEPINE SULFONAMIDES AS BOMBESIN RECEPTOR SUBTYPE-1 MODULATORS BRS3, BRSK1, BRSK2 SMN1; SMN2 1264/4885PKM 4754/4885NPC1 2162/4885
US-11213515-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS SMN1; SMN2 3555/4885PKM 4532/4885NPC1 2606/4885
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease HRAS, KRAS, NRAS SMN1; SMN2 3555/4885PKM 4532/4885NPC1 2606/4885
US-20210147385-A1 COMPOUNDS AND METHODS FOR TARGETING PATHOGENIC BLOOD VESSELS TEK, KDR, LIPG SMN1; SMN2 1703/4885PKM 2131/4885NPC1 1753/4885
US-20090143370-A1 Non-nucleoside Reverse Transcriptase Inhibitors RTF1, POLR1A, POLR1E SMN1; SMN2 1896/4885PKM 3643/4885NPC1 1241/4885
US-20080058312-A1 Modulators of hepatocyte growth factor/c-Met activity HGF, MET, HDGF SMN1; SMN2 3509/4885PKM 2938/4885NPC1 3797/4885

“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.