SCHEMBL439096

SCHEMBL439096

O=C(O)c1cnc(Cl)c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.47
POLB P06746 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
TTR P02766 1/20 0.47
P4HA1 P13674 2/20 0.44
P4HTM Q9NXG6 2/20 0.44
MIF P14174 1/20 0.44
MGAM O43451 1/20 0.42
TPMT P51580 1/20 0.40
LDHA P00338 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38

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
SCHEMBL29565006 1.00 HCAR2 (0.47) HCAR2POLBNAPRTTTRP4HA1
Hydrochloric Acid SCHEMBL2704937 0.98 HCAR2 (0.46) HCAR2POLBNAPRTTTRP4HA1
Hydrazine SCHEMBL27966259 0.96 HCAR2 (0.44) HCAR2POLBNAPRTTTRP4HA1
SCHEMBL1809522 0.84 NAPRT (0.38) NAPRTALDH1A1LMNAKMT2AGAA
SCHEMBL9192729 0.82 ALDH1A1 (0.39) ALDH1A1MEN1LMNAKMT2AGAA
SCHEMBL232290 0.79 HCAR2 (0.50) HCAR2NAPRTTTRP4HA1P4HTM
SCHEMBL487368 0.79 HCAR2 (0.50) HCAR2POLBNAPRTTTRP4HA1
SCHEMBL30792836 0.79 HCAR2 (0.50) HCAR2POLBNAPRTTTRP4HA1
SCHEMBL29365646 0.79 HCAR2 (0.50) HCAR2NAPRTTTRP4HA1P4HTM
SCHEMBL8926986 0.78 ALDH1A1 (0.36) POLBALDH1A1LMNAGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024257116-A1 NOVEL POLYMORPHIC FORMS OF ASCIMINIB AND ITS PHARMACEUTICAL SALTS THEREOF NATCO PHARMA LIMITED (IN) 2024-12-19 WO claimed
CN-114149409-B (hetero) aryl amide compound with protein kinase inhibition activity 中国药科大学 2024-03-22 CN claimed
CN-114149409-A (hetero) aryl amide compound with protein kinase inhibitory activity 中国药科大学 2022-03-08 CN claimed
CN-109212051-B Gas chromatography-mass spectrometry combined method for determining nine trace amounts of halogenated nicotinic acid in drinking water 丁立平 2021-11-19 CN claimed
CN-109212051-A The gas chromatography-mass spectrometry of nine kinds of halogenated niacin of trace in a kind of measurement drinking water 丁立平 2019-01-15 CN claimed
US-20260078124-A1 METHODS OF PREPARING ERGOLINE ANALOGS UNIV CALIFORNIA (US) 2026-03-19 US disclosed
EP-4646402-A1 GPR35 MODULATORS ThirtyFiveBio Limited (GB) 2025-11-12 EP disclosed
US-20250313560-A1 Novel bicyclic benzylamido pyridine derivatives as SOS1 inhibitors BOEHRINGER INGELHEIM INT (DE) 2025-10-09 US disclosed
EP-4566608-A2 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION Gilead Sciences, Inc. (US) 2025-06-11 EP disclosed
US-20250179102-A1 THERAPEUTICS COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES, INC. 2025-06-05 US disclosed
US-20250179032-A1 HETEROCYCLIC INHIBITORS OF GLUT9 FOR TREATMENT OF DISEASE HORIZON THERAPEUTICS IRELAND DAC (IE) 2025-06-05 US disclosed
EP-4440702-B1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES INC (US) 2025-05-21 EP disclosed
US-4508907-A 2,3-Dichloro-5-trichloromethylpyridine IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1985-04-02 US disclosed
EP-0107866-A2 Trihalomethylpyridine compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-05-09 EP disclosed
US-4324627-A CHLORINATION OF 3-METHYLPYRIDINE UNDER INFLUENCE OF ULTRA VIOLET LIGHT IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-04-13 US disclosed
US-4317913-A Herbicidal pyridine compounds IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-03-02 US disclosed
EP-0028870-A1 Phenoxypyridine compound IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-05-20 EP disclosed
EP-0021453-A2 2-Chloro-5-trichloromethylpyridine IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-01-07 EP disclosed
EP-0001473-A2 Herbicidal halogenomethyl--pyridyloxy-phenoxy-alkanecarboxylic acids and derivatives, and processes of controlling unwanted plants therewith IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-04-18 EP disclosed
WO-1979000094-A1 HERBICIDAL PYRIDINE COMPOUNDS ICI LTD (GB) 1979-03-08 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 (4 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-20250179102-A1 THERAPEUTICS COMPOUNDS FOR HIV VIRUS INFECTION CD4, HAVCR2, MAVS HCAR2 4069/4885POLB 1081/4885NAPRT 1493/4885
US-20250179032-A1 HETEROCYCLIC INHIBITORS OF GLUT9 FOR TREATMENT OF DISEASE SLC2A9, SLC2A1, SLC2A8 HCAR2 96/4885POLB 4712/4885NAPRT 143/4885
US-20260078124-A1 METHODS OF PREPARING ERGOLINE ANALOGS HTR1A, HTR2A, HTR7 HCAR2 397/4885POLB 4159/4885NAPRT 2124/4885
US-20250313560-A1 Novel bicyclic benzylamido pyridine derivatives as SOS1 inhibitors SOS1, SOS2, RSU1 HCAR2 3654/4885POLB 3799/4885NAPRT 1545/4885

“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.