SCHEMBL1913680

SCHEMBL1913680

c1ccc(CNc2nc3ccccc3s2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.71
RAB9A P51151 8/20 0.71
KMT2A Q03164 4/20 0.71
MEN1 O00255 3/20 0.71
CSNK1D P48730 4/20 0.62
ROCK2 O75116 1/20 0.62
MAP4K4 O95819 1/20 0.62
PRKCG P05129 1/20 0.62
LYN P07948 1/20 0.62
PRKACA P17612 1/20 0.62
RPS6KB1 P23443 1/20 0.62
AKT1 P31749 1/20 0.62
FLT3 P36888 1/20 0.62
CLK2 P49760 1/20 0.62
IRAK1 P51617 1/20 0.62
PRKX P51817 1/20 0.62
NEK4 P51957 1/20 0.62
PRKCD Q05655 1/20 0.62
ROCK1 Q13464 1/20 0.62
DYRK1A Q13627 1/20 0.62

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
SCHEMBL19792507 0.87 NPC1 (0.72) NPC1RAB9AKMT2AMEN1CSNK1D
SCHEMBL4972706 0.85 NPC1 (0.62) NPC1RAB9AKMT2AMEN1CSNK1D
SCHEMBL28844162 0.84 NPC1 (0.60) NPC1RAB9AKMT2AMEN1CSNK1D
SCHEMBL9358637 0.83 NPC1 (1.00) NPC1RAB9AKMT2AMEN1CSNK1D
SCHEMBL5670159 0.83 NPC1 (0.59) NPC1RAB9AKMT2AMEN1CSNK1D
SCHEMBL5256491 0.82 ROCK2 (0.64) NPC1RAB9AKMT2AMEN1CSNK1D
SCHEMBL31204260 0.82 DYRK1A (0.64) NPC1RAB9AKMT2AMEN1CSNK1D
SCHEMBL13993855 0.82 CSNK1D (0.64) NPC1RAB9AKMT2AMEN1CSNK1D
SCHEMBL23965805 0.81 NPC1 (0.60) NPC1RAB9AKMT2AMEN1DYRK1A
SCHEMBL4971075 0.79 NPC1 (0.63) NPC1RAB9AKMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0282971-B1 Substituted 2-aminobenzothiazoles and derivatives useful as cerebrovascular agents WARNER LAMBERT CO (US) 1994-12-28 EP claimed
US-4826860-A STROKES WARNER-LAMBERT COMPANY (US) 1989-05-02 US claimed
EP-0282971-A2 Substituted 2-aminobenzothiazoles and derivatives useful as cerebrovascular agents WARNER-LAMBERT COMPANY (US) 1988-09-21 EP claimed
US-10208049-B2 Compounds and methods of treating ocular disorders CASE WESTERN RESERVE UNIVERSITY (US) 2019-02-19 US disclosed
CN-108912110-A A kind of 2- amino oxazole derivatives C26H25O10N3Synthetic method 南京大学连云港高新技术研究院 2018-11-30 CN disclosed
EP-3346304-A1 COMPOSITION INCLUDING COMPOUND HAVING MESOGENIC GROUP, POLYMER AND OPTICALLY ANISOTROPIC BODY OBTAINED BY POLYMERIZING POLYMERIZABLE COMPOSITION, AND PHASE DIFFERENCE FILM DIC Corporation (JP) 2018-07-11 EP disclosed
US-20180134714-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS CASE WESTERN RESERVE UNIVERSITY 2018-05-17 US disclosed
US-20180022716-A1 POLYMERIZABLE COMPOUND AND OPTICAL ISOMER DIC CORPORATION (JP) 2018-01-25 US disclosed
US-20180022716-A1 POLYMERIZABLE COMPOUND AND OPTICAL ISOMER DIC CORPORATION (JP) 2018-01-25 US disclosed
EP-2542235-B1 USE OF RILUZOLE TO TREAT OR PREVENT THE ADVERSE EFFECTS OF ANTINEOPLASTIC AGENTS UNIV D'AUVERGNE CLERMONT I (FR) 2017-11-22 EP disclosed
WO-2017079867-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY DIC CORPORATION (JP) 2017-05-18 WO disclosed
WO-2010010435-A2 FUSED OXAZOLE AND THIAZOLE DERIVATIVES AS TRPMS MODULATORS GLENMARK PHARMACEUTICAL S.A. (CH) 2010-01-28 WO disclosed
EP-0282971-B1 Substituted 2-aminobenzothiazoles and derivatives useful as cerebrovascular agents WARNER LAMBERT CO (US) 1994-12-28 EP disclosed
US-4971983-A Use as anesthetics in surgery where a risk of cerebrovascular damage exists; e.g. riluzole WARNER-LAMBERT COMPANY (US) 1990-11-20 US disclosed
US-4918090-A ADMINISTERING TO STROKE PATIENT WARNER-LAMBERT COMPANY (US) 1990-04-17 US disclosed
US-4826860-A STROKES WARNER-LAMBERT COMPANY (US) 1989-05-02 US disclosed
EP-0282971-A2 Substituted 2-aminobenzothiazoles and derivatives useful as cerebrovascular agents WARNER-LAMBERT COMPANY (US) 1988-09-21 EP disclosed
EP-0003141-B1 PROCESS FOR THE PREPARATION OF 2-AMINO-ARYLENOTHIAZOLE COMPOUNDS AND THEIR RING N-SUBSTITUTED DERIVATIVES HOECHST AKTIENGESELLSCHAFT (DE) 1982-07-14 EP disclosed
US-4252963-A CYCLIZATION OF PHENYLTHIOUREAS WITH THIONYL CHLORIDE HOECHST AKTIENGESELLSCHAFT (DE) 1981-02-24 US disclosed
EP-0003141-A2 Process for the preparation of 2-amino-arylenothiazole compounds and their ring N-substituted derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1979-07-25 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 (3 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-20180022716-A1 POLYMERIZABLE COMPOUND AND OPTICAL ISOMER SMC4, MAP1LC3C, ZW10 NPC1 4194/4885RAB9A 4173/4885KMT2A 3183/4885
US-20180134714-A1 COMPOUNDS AND METHODS OF TREATING OCULAR DISORDERS ALDH1A2, NR2E3, LRAT NPC1 29/4885RAB9A 432/4885KMT2A 2643/4885
US-10208049-B2 Compounds and methods of treating ocular disorders ALDH1A2, NR2E3, LRAT NPC1 29/4885RAB9A 432/4885KMT2A 2643/4885

“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.