SCHEMBL7143536

SCHEMBL7143536

CCOC(=O)c1csc(N=C(N)N)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.60
MAPT P10636 7/20 0.60
NPC1 O15118 7/20 0.60
ALDH1A1 P00352 2/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
ATP4A P20648 1/20 0.58
ATP4B P51164 1/20 0.58
CYP1A2 P05177 2/20 0.51
ADRA2A P08913 1/20 0.51
ADRA2B P18089 1/20 0.51
ADRA2C P18825 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.49
GAA P10253 2/20 0.49
NPSR1 Q6W5P4 2/20 0.48
POLB P06746 1/20 0.48
PKM P14618 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
HSP90AA1 P07900 2/20 0.46

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
Bromide SCHEMBL7142282 0.99 RAB9A (0.58) RAB9AMAPTNPC1ALDH1A1MEN1
SCHEMBL9298431 0.81 ATP4A (0.63) RAB9AMAPTNPC1ALDH1A1MEN1
SCHEMBL9297002 0.80 ATP4A (0.59) RAB9AMAPTNPC1ATP4AATP4B
Bromide SCHEMBL9296510 0.80 ATP4A (0.61) RAB9AMAPTNPC1ATP4AATP4B
SCHEMBL6313027 0.79 RAB9A (0.56) RAB9AMAPTNPC1ALDH1A1MEN1
SCHEMBL2829791 0.77 RAB9A (0.65) RAB9AMAPTNPC1ALDH1A1MEN1
SCHEMBL220846 0.76 RAB9A (0.97) RAB9AMAPTNPC1ALDH1A1MEN1
SCHEMBL13144514 0.76 MAPT (0.70) RAB9AMAPTNPC1ALDH1A1MEN1
SCHEMBL914552 0.76 RAB9A (0.68) RAB9AMAPTNPC1ALDH1A1MEN1
Hydrochloric Acid SCHEMBL16653815 0.75 RAB9A (1.00) RAB9AMAPTNPC1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200140460-A1 ANTIBACTERIAL THERAPEUTICS AND PROPHYLACTICS VYOME BIOSCIENCES PVT. LTD. (IN) 2020-05-07 US disclosed
US-10570152-B2 Antibacterial therapeutics and prophylactics VYOME THERAPEUTICS LIMITED (IN) 2020-02-25 US disclosed
US-20180265523-A1 ANTIBACTERIAL THERAPEUTICS AND PROPHYLACTICS VYOME THERAPEUTICS LIMITED (IN) 2018-09-20 US disclosed
EP-3328856-A2 ANTIBACTERIAL THERAPEUTICS AND PROPHYLACTICS Vyome Biosciences Pvt. Ltd. (IN) 2018-06-06 EP disclosed
CN-104540831-B The difluoro dioxolanes aminobenzimidazole kinase inhibitor disorderly for treating cancer, autoimmune inflammation and CNS 4SC探索有限责任公司 2017-11-07 CN disclosed
US-20170240556-A1 BIFLUORODIOXALANE-AMINO-BENZIMIDAZOLE KINASE INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNEINFLAMMATION AND CNS DISORDERS 4SC DISCOVERY GMBH (DE) 2017-08-24 US disclosed
US-20170240556-A1 BIFLUORODIOXALANE-AMINO-BENZIMIDAZOLE KINASE INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNEINFLAMMATION AND CNS DISORDERS 4SC DISCOVERY GMBH (DE) 2017-08-24 US disclosed
US-20170240556-A1 BIFLUORODIOXALANE-AMINO-BENZIMIDAZOLE KINASE INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNEINFLAMMATION AND CNS DISORDERS 4SC DISCOVERY GMBH (DE) 2017-08-24 US disclosed
US-9580438-B2 Bifluorodioxalane-amino-benzimidazole kinase inhibitors for the treatment of cancer, autoimmuneinflammation and CNS disorders 4SC DISCOVERY GMBH (DE) 2017-02-28 US disclosed
US-9580438-B2 Bifluorodioxalane-amino-benzimidazole kinase inhibitors for the treatment of cancer, autoimmuneinflammation and CNS disorders 4SC DISCOVERY GMBH (DE) 2017-02-28 US disclosed
EP-2867237-A1 BIFLUORODIOXALANE-AMINO-BENZIMIDAZOLE KINASE INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNEINFLAMMATION AND CNS DISORDERS 4SC Discovery GmbH (DE) 2015-05-06 EP disclosed
CN-104540831-A Bifluorodioxalane-amino-benzimidazole kinase inhibitors for the treatment of cancer, autoimmuneinflammation and CNS disorders 4SC DISCOVERY GMBH 2015-04-22 CN disclosed
WO-2014001464-A1 BIFLUORODIOXALANE-AMINO-BENZIMIDAZOLE KINASE INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNEINFLAMMATION AND CNS DISORDERS 4SC DISCOVERY GMBH (DE) 2014-01-03 WO disclosed
EP-0928790-B1 Thiazole derivatives HOFFMANN LA ROCHE (CH) 2003-03-05 EP disclosed
US-6344562-B1 ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. 2002-02-05 US disclosed
US-20020010316-A1 Thiazole derivatives ALIG LEO (CH) 2002-01-24 US disclosed
US-6320054-B1 INHIBIT BINDING OF ADHESIVE PROTEINS TO THE SURFACE OF DIFFERENT TYPES F CELL AND ACCORDINGLY INFLUENCE CELL-CELL AND CELL-MATRIX INTERACTIONS. HOFFMAN-LA ROCHE INC. 2001-11-20 US disclosed
US-6100282-A Thiazole derivatives HOFFMAN-LA ROCHE INC. (US) 2000-08-08 US disclosed
EP-0928790-A1 Thiazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-07-14 EP disclosed
EP-0074229-A1 Triazole gastric anti-secretory agents PFIZER INC. (US) 1983-03-16 EP 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 (5 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-20020010316-A1 Thiazole derivatives VCAM1, SOST, TGFB1 RAB9A 1440/4885MAPT 86/4885NPC1 987/4885
US-20170240556-A1 BIFLUORODIOXALANE-AMINO-BENZIMIDAZOLE KINASE INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNEINFLAMMATION AND CNS DISORDERS CNKSR1, TYK2, ERBB2 RAB9A 2636/4885MAPT 3006/4885NPC1 3777/4885
US-20180265523-A1 ANTIBACTERIAL THERAPEUTICS AND PROPHYLACTICS CLPP, CFTR, ELANE RAB9A 1807/4885MAPT 3826/4885NPC1 1232/4885
US-20200140460-A1 ANTIBACTERIAL THERAPEUTICS AND PROPHYLACTICS CLPP, CFTR, ELANE RAB9A 1807/4885MAPT 3826/4885NPC1 1232/4885
US-10570152-B2 Antibacterial therapeutics and prophylactics CLPP, CFTR, ELANE RAB9A 1807/4885MAPT 3826/4885NPC1 1232/4885

“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.