SCHEMBL3046846

SCHEMBL3046846

Oc1ccc2sc(S)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.53
DYRK1A Q13627 4/20 0.50
APP P05067 2/20 0.47
RAB9A P51151 4/20 0.45
KDM4E B2RXH2 4/20 0.45
MAPT P10636 4/20 0.45
NPC1 O15118 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ILK Q13418 1/20 0.43
HTT P42858 3/20 0.43
GAA P10253 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 3/20 0.38
POLB P06746 2/20 0.38
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA4 P22748 1/20 0.38

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
SCHEMBL2676185 0.84 HTT (0.61) CA2DYRK1AAPPMAPTHTT
2-Mercaptobenzothiazole SCHEMBL2170236 0.82 MAPT (0.49) CA2DYRK1AAPPRAB9AKDM4E
SCHEMBL28090972 0.79 CA2 (0.56) CA2DYRK1AAPPRAB9AKDM4E
SCHEMBL1094971 0.79 NPC1 (0.35) CA2DYRK1ARAB9AKDM4EMAPT
Isobutane SCHEMBL8357971 0.78 HTT (0.54) CA2DYRK1AAPPMAPTHTT
SCHEMBL28052498 0.78 NPC1 (0.34) CA2DYRK1ARAB9AKDM4EMAPT
SCHEMBL72699 0.76 GAA (0.72) CA2DYRK1AAPPRAB9AKDM4E
SCHEMBL27987130 0.76 CA2 (0.53) CA2DYRK1AAPPRAB9AKDM4E
SCHEMBL21412413 0.76 CA2 (0.53) CA2DYRK1AAPPRAB9AKDM4E
SCHEMBL30106441 0.76 SMN1; SMN2 (0.61) CA2DYRK1AAPPRAB9AKDM4E

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105734587-A Novel macro-molecular corrosion inhibitor and preparation method thereof 中国石油化工股份有限公司 2016-07-06 CN claimed
US-4021248-A SILVER HALIDE FUJI PHOTO FILM CO., LTD. (JA) 1977-05-03 US claimed
CN-107829094-B High temperature resistant corrosion inhibitor and preparation method thereof 中国石油化工股份有限公司 2019-10-11 CN disclosed
CN-105734587-A Novel macro-molecular corrosion inhibitor and preparation method thereof 中国石油化工股份有限公司 2016-07-06 CN disclosed
WO-2014144878-A2 NOVEL THIOL & AMINO MODIFYING REAGENTS FOR PROTEIN CHEMISTRY AND METHODS OF USE THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2014-09-18 WO disclosed
WO-2014144878-A2 NOVEL THIOL & AMINO MODIFYING REAGENTS FOR PROTEIN CHEMISTRY AND METHODS OF USE THEREOF THE SCRIPPS RESEARCH INSTITUTE (US) 2014-09-18 WO disclosed
US-20100261679-A1 CSF-1R, Inhibitors, Compositions, and Methods of Use NOVARTIS AG (CH) 2010-10-14 US disclosed
US-20100261679-A1 CSF-1R, Inhibitors, Compositions, and Methods of Use NOVARTIS AG (CH) 2010-10-14 US disclosed
US-20100261679-A1 CSF-1R, Inhibitors, Compositions, and Methods of Use NOVARTIS AG (CH) 2010-10-14 US disclosed
EP-2211862-A2 CSF-1R INHIBITORS FOR TREATMENT OF CANCER AND BONE DISEASES Novartis AG (CH) 2010-08-04 EP disclosed
WO-2009050228-A2 CSF-1R INHIBITORS FOR TREATMENT OF CANCER AND BONE DISEASES NOVARTIS AG (CH) 2009-04-23 WO disclosed
WO-2009050228-A2 CSF-1R INHIBITORS FOR TREATMENT OF CANCER AND BONE DISEASES NOVARTIS AG (CH) 2009-04-23 WO 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 (1 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-20100261679-A1 CSF-1R, Inhibitors, Compositions, and Methods of Use CSF1R, CSF3R, MSR1 CA2 1118/4885DYRK1A 1640/4885APP 1226/4885

“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.