SCHEMBL906609

SCHEMBL906609

COc1ccc2nc(C#N)sc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2C19 P33261 2/20 0.59
PDK1 Q15118 1/20 0.58
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
MAPT P10636 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
HTT P42858 3/20 0.54
NFKB1 P19838 2/20 0.54
NFKB2 Q00653 2/20 0.54
RELA Q04206 2/20 0.54
DYRK1A Q13627 1/20 0.54
TSHR P16473 1/20 0.52
APP P05067 3/20 0.52
ALDH1A1 P00352 2/20 0.52
GAA P10253 1/20 0.52
NQO1 P15559 1/20 0.51

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
SCHEMBL26691830 0.91 NPC1 (0.51) CYP1A2CYP3A4CYP2C19PDK1NPC1
SCHEMBL5857526 0.87 NPC1 (0.54) CYP1A2CYP3A4CYP2C19PDK1NPC1
Hydrochlorthiazide SCHEMBL9108846 0.87 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C19PDK1NPC1
SCHEMBL12336473 0.85 CYP3A4 (0.60) CYP1A2CYP3A4CYP2C19NPC1RAB9A
SCHEMBL8125517 0.85 APP (0.54) CYP1A2CYP3A4CYP2C19PDK1MAPT
SCHEMBL21412546 0.84 CYP1A2 (0.59) CYP1A2CYP3A4CYP2C19PDK1NPC1
SCHEMBL12312877 0.84 CYP3A4 (0.46) CYP1A2CYP3A4CYP2C19PDK1NPC1
SCHEMBL8773253 0.82 CA2 (0.46) CYP1A2CYP3A4CYP2C19PDK1NPC1
SCHEMBL26691755 0.81 RAB9A (0.42) CYP1A2CYP3A4CYP2C19PDK1NPC1
SCHEMBL26691761 0.81 RAB9A (0.43) CYP1A2CYP3A4CYP2C19PDK1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118955457-A Chemiluminescent probe compound and application thereof 广州中医药大学(广州中医药研究院) 2024-11-15 CN claimed
EP-0527186-A4 UNIV ILLINOIS (US) 1995-01-18 EP claimed
EP-0527186-A1 PHOTODYNAMIC PLANT DEFOLIANTS AND CHLOROPHYLL BIOSYNTHESIS MODULATORS The Board of Trustees for the University of Illinois (US) 1993-02-17 EP claimed
WO-1991016820-A1 PHOTODYNAMIC PLANT DEFOLIANTS AND CHLOROPHYLL BIOSYNTHESIS MODULATORS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 1991-11-14 WO claimed
US-5026426-A Ink compositions having improved waterfastness HEWLETT-PACKARD COMPANY (US) 1991-06-25 US claimed
JP-11332593-A None JP disclosed
US-20260028334-A1 N-(3-(BENZO[B]THIOPHENE-2-CARBOXAMIDO)-PHENYL)-2,3-DIHYDROBENZO[B][1,4]DIOXINE-6-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS LACTATE/ATP PRODUCTION INHIBITORS FOR THE TREATMENT OF CANCER WMT AG (DE) 2026-01-29 US disclosed
CN-118955457-A Chemiluminescent probe compound and application thereof 广州中医药大学(广州中医药研究院) 2024-11-15 CN disclosed
CN-118974040-A N- (3- (benzo [ B ] thiophen-2-amido) -phenyl) -2, 3-dihydrobenzo [ B ] [1,4] dioxin-6-amide derivatives and related compounds as lactic acid/ATP production inhibitors for the treatment of cancer 威马特股份公司 2024-11-15 CN disclosed
EP-3658544-B1 DERIVATIVES OF LUCIFERIN AND METHODS FOR THEIR SYNTHESIS UNIV CAPE TOWN (ZA) 2024-07-31 EP disclosed
WO-2023194458-A1 N-(3-(BENZO[B]THIOPHENE-2-CARBOXAMIDO)-PHENYL)-2,3-DIHYDROBENZO[B][1,4]DIOXINE-6-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS LACTATE/ATP PRODUCTION INHIBITORS FOR THE TREATMENT OF CANCER WMT AG (DE) 2023-10-12 WO disclosed
WO-2023275744-A1 HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS TECNIMEDE - Sociedade Técnico-medicinal, SA (PT) 2023-01-05 WO disclosed
WO-1990000618-A1 PREPARATION AND USE OF FLUORESCENT BENZOTHIAZOLE DERIVATIVES JBL SCIENTIFIC, INC. (US) 1990-01-25 WO disclosed
US-4882715-A Surface acoustic wave convolver with dielectric film of high non-linear effect CANON KABUSHIKI KAISHA (JP) 1989-11-21 US disclosed
US-4826989-A Process for the preparation of luciferin compounds BOEHRINGER MANNHEIM GMBH (DE) 1989-05-02 US disclosed
EP-0295145-A2 Recording method and recording apparatus CANON KABUSHIKI KAISHA (JP) 1988-12-14 EP disclosed
EP-0284229-A1 Nonlinear optical material and method for orientation thereof CANON KABUSHIKI KAISHA (JP) 1988-09-28 EP disclosed
EP-0282978-A2 Surface acoustic wave convolver with dielectric film of high non-linear effect CANON KABUSHIKI KAISHA (JP) 1988-09-21 EP disclosed
EP-0024525-B1 Process for the preparation of luciferin and its derivatives Roche Diagnostics GmbH (DE) 1982-06-30 EP disclosed
EP-0024525-A1 Process for the preparation of luciferin and its derivatives Roche Diagnostics GmbH (DE) 1981-03-11 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 (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-20260028334-A1 N-(3-(BENZO[B]THIOPHENE-2-CARBOXAMIDO)-PHENYL)-2,3-DIHYDROBENZO[B][1,4]DIOXINE-6-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS LACTATE/ATP PRODUCTION INHIBITORS FOR THE TREATMENT OF CANCER LDHA, LDHB, SLC6A1 CYP1A2 1372/4885CYP3A4 1486/4885CYP2C19 1940/4885

“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.