SCHEMBL935576

SCHEMBL935576

COc1cc(Br)cc(F)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
HTR6 P50406 1/20 0.38
NQO2 P16083 2/20 0.36
TUBB1 Q9H4B7 3/20 0.34
APP P05067 1/20 0.34
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PRNP P04156 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
EGFR P00533 1/20 0.33
RET P07949 1/20 0.33
KIF5B P33176 1/20 0.33
KDR P35968 1/20 0.33
PIM1 P11309 1/20 0.33
HTT P42858 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL2384879 0.84 ERN1 (0.44) ERN1ALOX15ALOX12NQO2APP
SCHEMBL29448365 0.78 TUBB1 (0.40) ERN1ALOX15ALOX12NQO2TUBB1
SCHEMBL935630 0.78 TUBB1 (0.40) ERN1ALOX15ALOX12NQO2TUBB1
SCHEMBL1813756 0.78 SCN9A (0.38) HTR6TUBB1NPC1HTTACHE
SCHEMBL19701751 0.78 ERN1 (0.40) ERN1ALOX15ALOX12HTR6NQO2
SCHEMBL31500460 0.77 ALOX15 (0.47) ERN1ALOX15ALOX12NQO2TUBB1
SCHEMBL524860 0.77 NQO2 (0.44) ERN1ALOX15ALOX12NQO2APP
SCHEMBL21593326 0.77 NQO2 (0.41) ERN1ALOX15ALOX12NQO2TUBB1
SCHEMBL26927713 0.77 ALOX15 (0.47) ERN1ALOX15ALOX12NQO2TUBB1
SCHEMBL1042771 0.77 TAAR1 (0.44) ERN1TUBB1ALDH1A1MAPTEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12441703-B2 Carboxamides as modulators of sodium channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-10-14 US disclosed
US-12275719-B2 Small molecule inhibitors of galectin-3 BRISTOL-MYERS SQUIBB COMPANY (US) 2025-04-15 US disclosed
US-20240336613-A1 HETEROARYL COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. 2024-10-10 US disclosed
EP-3947407-B1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL MYERS SQUIBB CO (US) 2024-06-12 EP disclosed
CN-118159539-A Heteroaryl compounds for the treatment of huntington's disease PTC医疗公司 2024-06-07 CN disclosed
EP-4309741-A1 CYCLIC COMPOUND HAVING INHIBITORY EFFECT SELECTIVE FOR KRAS BUT NOT FOR HRAS AND NRAS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-01-24 EP disclosed
WO-2023214576-A1 CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT ON HRAS AND NRAS 中外製薬株式会社 2023-11-09 WO disclosed
US-20230062053-A1 CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2023-03-02 US disclosed
US-20230062053-A1 CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2023-03-02 US disclosed
WO-2023009816-A1 HETEROARYL COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS, INC. (US) 2023-02-02 WO disclosed
US-20170298067-A1 NOVEL TETRAHYDROPYRIDOPYIMIDINES AND TETRAHYDROPRIDOPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2017-10-19 US disclosed
US-20170298067-A1 NOVEL TETRAHYDROPYRIDOPYIMIDINES AND TETRAHYDROPRIDOPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2017-10-19 US disclosed
US-20170298067-A1 NOVEL TETRAHYDROPYRIDOPYIMIDINES AND TETRAHYDROPRIDOPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2017-10-19 US disclosed
WO-2016177655-A1 TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES AS INHIBITORS OF HBSAG (HBV SURFACE ANTIGEN) AND HBV DNA PRODUCTION FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTIONS F. HOFFMANN-LA ROCHE AG (CH) 2016-11-10 WO disclosed
US-20160326167-A1 Novel Tetrahydropyridopyrimidines and Tetrahydropyridopyridines for the Treatment and Prophylaxis of Hepatitis B Virus Infection HOFFMANN-LA ROCHE INC. (US) 2016-11-10 US disclosed
US-20160326167-A1 Novel Tetrahydropyridopyrimidines and Tetrahydropyridopyridines for the Treatment and Prophylaxis of Hepatitis B Virus Infection HOFFMANN-LA ROCHE INC. (US) 2016-11-10 US disclosed
US-20160326167-A1 Novel Tetrahydropyridopyrimidines and Tetrahydropyridopyridines for the Treatment and Prophylaxis of Hepatitis B Virus Infection HOFFMANN-LA ROCHE INC. (US) 2016-11-10 US disclosed
WO-2016107832-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2016-07-07 WO disclosed
WO-2016107832-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES AND TETRAHYDROPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2016-07-07 WO disclosed
WO-2011007091-A1 DERIVATIVES OF 5,6-BISARYL-2-PYRIDINE-CARBOXAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF AS UROTENSIN-II RECEPTOR ANTAGONISTS SANOFI-AVENTIS (FR) 2011-01-20 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 (6 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-12275719-B2 Small molecule inhibitors of galectin-3 LGALS3, LGALS1, LGALS3BP ERN1 2595/4885ALOX15 3528/4885ALOX12 3407/4885
US-20160326167-A1 Novel Tetrahydropyridopyrimidines and Tetrahydropyridopyridines for the Treatment and Prophylaxis of Hepatitis B Virus Infection TPMT, DPYD, HAVCR2 ERN1 2795/4885ALOX15 3165/4885ALOX12 2502/4885
US-12441703-B2 Carboxamides as modulators of sodium channels TRPV1, SCN2A, SCN10A ERN1 2993/4885ALOX15 3043/4885ALOX12 3166/4885
US-20170298067-A1 NOVEL TETRAHYDROPYRIDOPYIMIDINES AND TETRAHYDROPRIDOPYRIDOPYRIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION TPX2, QDPR, TPMT ERN1 2625/4885ALOX15 3959/4885ALOX12 3727/4885
US-20240336613-A1 HETEROARYL COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE HTT, HYPK, FH ERN1 4540/4885ALOX15 2294/4885ALOX12 2300/4885
US-20230062053-A1 CARBOXAMIDES AS MODULATORS OF SODIUM CHANNELS TRPV1, SCN2A, SCN10A ERN1 2993/4885ALOX15 3043/4885ALOX12 3166/4885

“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.