SCHEMBL406756

SCHEMBL406756

Nc1c(F)cc(Br)cc1I

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.48
CA2 P00918 5/20 0.48
CA9 Q16790 5/20 0.48
CA3 P07451 1/20 0.48
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
DGAT1 O75907 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
KDM1A O60341 2/20 0.31
KDM1B Q8NB78 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30

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
SCHEMBL58096 0.82 HDAC1 (0.44) CA1CA2CA9CA3HDAC1
SCHEMBL18076660 0.82 CA1 (0.44) CA1CA2CA9CA3ALDH1A1
SCHEMBL14880913 0.75 CA1 (0.52) CA1CA2CA9CA3HDAC1
SCHEMBL20828819 0.75 DGAT1 (0.30) DGAT1
SCHEMBL18426752 0.75 CA1 (0.39) CA1CA2CA9ALDH1A1ALOX15
SCHEMBL31441248 0.75 CA1 (0.39) CA1CA2CA9HDAC1HDAC6
SCHEMBL19723645 0.75 CA1 (0.54) CA1CA2CA9CA3ALDH1A1
SCHEMBL1639935 0.75 CA1 (0.54) CA1CA2CA9CA3HDAC1
SCHEMBL231997 0.75 CA1 (0.39) CA1CA2CA9HDAC1HDAC6
SCHEMBL25188992 0.71 HDAC1 (0.33) HDAC1HDAC6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4562000-A1 AMINOHETEROARYL KINASE INHIBITORS Allorion Therapeutics Inc (US) 2025-06-04 EP disclosed
US-12281102-B2 Inhibitors of APOL1 and methods of using same VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-04-22 US disclosed
CN-119630652-A Amino heteroaryl kinase inhibitors 安锐生物医药公司 2025-03-14 CN disclosed
WO-2024022487-A1 AMINOHETEROARYL KINASE INHIBITORS Allorion Therapeutics Inc (US) 2024-02-01 WO disclosed
CN-116157393-A Inhibitors of APOL1 and uses thereof 弗特克斯药品有限公司 2023-05-23 CN disclosed
EP-4165023-A1 INHIBITORS OF APOL1 AND USE OF THE SAME Vertex Pharmaceuticals Incorporated (US) 2023-04-19 EP disclosed
EP-4165022-A1 INHIBITORS OF APOL1 AND USE OF THE SAME Vertex Pharmaceuticals Incorporated (US) 2023-04-19 EP disclosed
CN-115867532-A Inhibitors of APOL1 and uses thereof 弗特克斯药品有限公司 2023-03-28 CN disclosed
US-20230014907-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED 2023-01-19 US disclosed
US-20230011118-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED 2023-01-12 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-20100029729-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-02-04 US disclosed
US-20100029729-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-02-04 US disclosed
US-20100029729-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-02-04 US disclosed
US-20100010053-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-01-14 US disclosed
US-20100010053-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-01-14 US disclosed
US-20100010053-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-01-14 US disclosed
WO-2009153307-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-23 WO disclosed
WO-2009153307-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-12-23 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-12281102-B2 Inhibitors of APOL1 and methods of using same APOL1, APOB, NPC1L1 CA1 4755/4885CA2 4619/4885CA9 3578/4885
US-20230014907-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME APOL1, APOB, NPC1L1 CA1 4833/4885CA2 4861/4885CA9 3851/4885
US-20230011118-A1 INHIBITORS OF APOL1 AND METHODS OF USING SAME APOL1, APOB, SAAL1 CA1 4858/4885CA2 4623/4885CA9 4135/4885
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 CA1 971/4885CA2 809/4885CA9 1399/4885
US-20100029729-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 CA1 3853/4885CA2 1833/4885CA9 3091/4885
US-20100010053-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 CA1 3853/4885CA2 1833/4885CA9 3091/4885

“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.