SCHEMBL2300811

SCHEMBL2300811

CCc1ccc(NC(N)=S)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.58
▸ GRIN3B O60391 1/20 0.58
▸ GRIN1 Q05586 1/20 0.58
▸ GRIN2A Q12879 1/20 0.58
▸ GRIN2B Q13224 1/20 0.58
▸ GRIN2C Q14957 1/20 0.58
▸ GRIN3A Q8TCU5 1/20 0.58
▸ SIGMAR1 Q99720 1/20 0.58
▸ RAB9A P51151 6/20 0.56
▸ NPC1 O15118 3/20 0.56
▸ SMN1; SMN2 Q16637 5/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ MAPT P10636 2/20 0.55
▸ GAA P10253 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ TP53 P04637 1/20 0.54
▸ TYR P14679 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ TAS2R38 P59533 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.54

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
SCHEMBL10092552 0.85 RAB9A (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16024387 0.83 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1MAPTGAAKMT2A
SCHEMBL9453953 0.83 RAB9A (0.66) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL725810 0.82 ALDH1A1 (0.75) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL10786449 0.81 LMNA (0.60) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL28701548 0.81 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1MAPTGAAKMT2A
SCHEMBL6833494 0.81 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1MAPTGAAKMT2A
SCHEMBL18735412 0.81 RAB9A (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL456128 0.80 MAPT (0.59) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28331210 0.80 SMN1; SMN2 (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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
CN-112593220-B Cyanide-free chemical gold-deposition solution suitable for semiconductor and display panel 深圳市创智成功科技有限公司 2021-09-14 — — CN claimed
CN-112593220-A Cyanide-free chemical gold-deposition solution suitable for semiconductor and display panel 深圳市创智成功科技有限公司 2021-04-02 — — CN claimed
EP-0529600-B1 Process for the preparation of 2-aminobenzothiazoles HOECHST AG (DE) 1996-11-06 — — EP claimed
US-5374737-A Catalytic cyclization of N-phenyl thiourea derivatives in sulfuric acid with catalytic amount of bromine or bromide HOECHST AKTIENGESELLSCHAFT (DE) 1994-12-20 — — US claimed
CN-107629022-B Antibacterial synergist and preparation method and application thereof 上海医药工业研究院 2024-11-12 — — CN disclosed
CN-118619952-A Aloperine derivative, preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2024-09-10 — — CN disclosed
US-20230263167-A1 METHOD OF PREPARING A BISMUTH SULFIDE PARTICLE CONTAINING ANTIBACTERIAL COMPOSITION IMAM ABDULRAHMAN BIN FAISAL UNIVERSITY (SA) 2023-08-24 — — US disclosed
US-11700855-B2 Method for preventing or reducing growth of a microorganism on a surface IMAM ABDULRAHMAN BIN FAISAL UNIVERSITY (SA) 2023-07-18 — — US disclosed
US-20220125958-A1 COMPOUNDS FOR POSITRON EMISSION TOMOGRAPHY PURDUE RESEARCH FOUNDATION 2022-04-28 — — US disclosed
CN-108863959-B P2X4 receptor antagonists 日本化学药品株式会社 2021-11-30 — — CN disclosed
CN-112593220-B Cyanide-free chemical gold-deposition solution suitable for semiconductor and display panel 深圳市创智成功科技有限公司 2021-09-14 — — CN disclosed
CN-112593220-A Cyanide-free chemical gold-deposition solution suitable for semiconductor and display panel 深圳市创智成功科技有限公司 2021-04-02 — — CN disclosed
US-20110207751-A1 HETEROCYCLIC COMPOUNDS AND USES AS ANTICANCER AGENTS ACEA Therapeutics, Inc. 2011-08-25 — — US disclosed
US-20110207751-A1 HETEROCYCLIC COMPOUNDS AND USES AS ANTICANCER AGENTS ACEA Therapeutics, Inc. 2011-08-25 — — US disclosed
US-7799915-B2 Anilino-pyrimidine analogs WYETH LLC (US) 2010-09-21 — — US disclosed
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 — — US disclosed
US-5374737-A Catalytic cyclization of N-phenyl thiourea derivatives in sulfuric acid with catalytic amount of bromine or bromide HOECHST AKTIENGESELLSCHAFT (DE) 1994-12-20 — — US disclosed
US-4713382-A N-phenyl-4-phenyl-1-piperazinecarboxamidines and related compounds as antiarrhythmic agents SYNTEX (U.S.A.) INC. (US) 1987-12-15 — — US disclosed
CN-86103798-A The preparation method of N-phenyl-4-phenyl-1-piperazine carbonamidine and their purposes as anti-arrhythmic — 1987-06-10 — — CN disclosed
EP-0204265-A1 N-Phenyl-4-phenyl-1-piperazine carboxamidines and related compounds as antiarrhythmic agents LABORATOIRES SYNTEX S.A. (FR) 1986-12-10 — — 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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 GRIN2D 304/4885GRIN3B 234/4885GRIN1 133/4885
US-20110207751-A1 HETEROCYCLIC COMPOUNDS AND USES AS ANTICANCER AGENTS MKI67, CCNC, NUDC GRIN2D 4651/4885GRIN3B 4120/4885GRIN1 4695/4885
US-20220125958-A1 COMPOUNDS FOR POSITRON EMISSION TOMOGRAPHY FOLH1, FOLR2, FOLR1 GRIN2D 1182/4885GRIN3B 436/4885GRIN1 514/4885

“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.

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