Sugi Predict

Sugi Predict / Compounds / SCHEMBL2496897

SCHEMBL2496897

SCHEMBL2496897

c1ccc(-c2cn3ccsc3n2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 15/20 0.68
▸ LMNA P02545 1/20 0.68
▸ NPC1 O15118 10/20 0.65
▸ RAB9A P51151 10/20 0.65
▸ SMN1; SMN2 Q16637 10/20 0.65
▸ MAPT P10636 5/20 0.65
▸ NFKB1 P19838 4/20 0.65
▸ NFKB2 Q00653 4/20 0.65
▸ RELA Q04206 4/20 0.65
▸ ALDH1A1 P00352 3/20 0.60
▸ HSD17B10 Q99714 3/20 0.60
▸ PKM P14618 2/20 0.60
▸ MAPK1 P28482 2/20 0.60
▸ HPGD P15428 4/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ ALOX12 P18054 1/20 0.55
▸ TSHR P16473 4/20 0.55
▸ RXFP1 Q9HBX9 1/20 0.55
▸ POLB P06746 1/20 0.53
▸ GAA P10253 1/20 0.53

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
SCHEMBL30059210 0.97 NPC1 (0.66) TP53LMNANPC1RAB9ASMN1; SMN2
SCHEMBL5773733 0.83 TP53 (0.68) TP53LMNANPC1RAB9ASMN1; SMN2
SCHEMBL4147815 0.83 NPC1 (0.66) TP53LMNANPC1RAB9ASMN1; SMN2
SCHEMBL1692138 0.83 NPC1 (0.66) TP53LMNANPC1RAB9ASMN1; SMN2
SCHEMBL969616 0.83 NPC1 (0.66) TP53LMNANPC1RAB9ASMN1; SMN2
SCHEMBL12970198 0.83 NPC1 (0.66) TP53LMNANPC1RAB9ASMN1; SMN2
SCHEMBL1728599 0.83 SMN1; SMN2 (0.66) TP53LMNANPC1RAB9ASMN1; SMN2
SCHEMBL12692485 0.83 SMN1; SMN2 (0.70) TP53LMNANPC1RAB9ASMN1; SMN2
SCHEMBL4781521 0.83 NPC1 (0.61) TP53LMNANPC1RAB9ASMN1; SMN2
SCHEMBL3678656 0.82 TP53 (0.63) TP53LMNANPC1RAB9ASMN1; 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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113831357-A Convenient Michal addition reaction of 6-phenyl-imidazole [2,1-b ] thiazole 桂林理工大学 2021-12-24 — — CN claimed
EP-0061806-B1 NON-IRRITATING TETRAMISOLE- OR LEVAMISOLE POUR-ON COMPOSITIONS JANSSEN PHARMACEUTICA N.V. (BE) 1984-12-19 — — EP claimed
EP-3962915-B1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR V V I (CZ) 2024-09-04 — — EP disclosed
CN-117946101-A Aryl methyl sulfone compound and synthesis method thereof 中国人民解放军军事科学院防化研究院 2024-04-30 — — CN disclosed
US-11701345-B2 Car activator agents for cyclophosphamide-based treatments of cancer UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-07-18 — — US disclosed
US-11701345-B2 Car activator agents for cyclophosphamide-based treatments of cancer UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-07-18 — — US disclosed
CN-115323409-A Method for electrochemically synthesizing asymmetric double-hetero aromatic hydrocarbon compound 南京工业大学 2022-11-11 — — CN disclosed
WO-2022208499-A1 NOVEL SULFONAMIDE SERIES OF QR2 INHIBITORS TO TACKLE OXIDATIVE STRESS AND COGNITIVE DECLINE CARMEL HAIFA UNIVERSITY ECONOMIC CORPORATION LTD. (IL) 2022-10-06 — — WO disclosed
US-20220204528-A1 DISCOVERY OF IMIDAZOTHIAZOLE- AND IMIDAZOOXAZOLE-BASED SELECTIVE HER4 KINASE INHIBITORS AS POTENTIAL ANTICANCER AGENTS UNIVERSITY OF SHARJAH (AE) 2022-06-30 — — US disclosed
US-20220185822-A1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) 2022-06-16 — — US disclosed
US-20220185822-A1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR USTAV ORGANICKE CHEMIE A BIOCHEMIE AV CR, V.V.I. (CZ) 2022-06-16 — — US disclosed
US-4562248-A YELLOW OR ORANGE SHADES ON HYDROPHOBIC FIBERS EASTMAN KODAK COMPANY (US) 1985-12-31 — — US disclosed
EP-0061806-B1 NON-IRRITATING TETRAMISOLE- OR LEVAMISOLE POUR-ON COMPOSITIONS JANSSEN PHARMACEUTICA N.V. (BE) 1984-12-19 — — EP disclosed
US-4444684-A Azo dyes containing a diazotized 5-amino isothiazol moiety having thereon a sulfonic acid or salt group EASTMAN KODAK COMPANY (US) 1984-04-24 — — US disclosed
US-4419289-A YELLOW COLOR FOR POLYESTERS, POLYAMIDES, AND CELLULOSE ESTERS EASTMAN KODAK COMPANY (US) 1983-12-06 — — US disclosed
US-4396547-A INDOLE, THIADIAZOLE AND MONOAZO DYES EASTMAN KODAK COMPANY (US) 1983-08-02 — — US disclosed
US-4354970-A YELLOW TEXTILE DYE EASTMAN KODAK COMPANY (US) 1982-10-19 — — US disclosed
US-4204067-A Derivatives of imidazo[2,1-b] thiazole ADHIKARY PARIMAL K 1980-05-20 — — US disclosed
US-4160840-A Derivatives of imidazoindole and imidazothiazole ADHIKARY PARIMAL K 1979-07-10 — — US disclosed
US-4143142-A NOVEL PYRIDO-IMIDAZO-INDOLES, COMPOSITIONS AND METHOD THEREWITH ADHIKARY PARIMAL K 1979-03-06 — — 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 (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-11701345-B2 Car activator agents for cyclophosphamide-based treatments of cancer CYP2A6, CYP2B6, CYP4A11 TP53 88/4885LMNA 4494/4885NPC1 2280/4885
US-20220204528-A1 DISCOVERY OF IMIDAZOTHIAZOLE- AND IMIDAZOOXAZOLE-BASED SELECTIVE HER4 KINASE INHIBITORS AS POTENTIAL ANTICANCER AGENTS ERBB4, ERBB2, ERBB3 TP53 451/4885LMNA 4663/4885NPC1 3770/4885
US-20220185822-A1 SELECTIVE LIGANDS OF HUMAN CONSTITUTIVE ANDROSTANE RECEPTOR NR1I2, NR1H2, NR1H4 TP53 1499/4885LMNA 2226/4885NPC1 366/4885

“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.