SCHEMBL4600260

SCHEMBL4600260

O=C(O)c1cnc(Br)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
HSD17B10 Q99714 2/20 0.52
KDM4E B2RXH2 2/20 0.52
ALOX15 P16050 1/20 0.52
HCAR2 Q8TDS4 4/20 0.50
P4HA1 P13674 3/20 0.50
P4HTM Q9NXG6 2/20 0.50
MIF P14174 1/20 0.48
POLB P06746 2/20 0.46
NAPRT Q6XQN6 2/20 0.46
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46

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
Hydrochloric Acid SCHEMBL20396062 0.97 ALDH1A1 (0.50) ALDH1A1HSD17B10KDM4EALOX15HCAR2
SCHEMBL4886683 0.80 ALDH1A1 (0.58) ALDH1A1HSD17B10KDM4EALOX15HCAR2
SCHEMBL20396058 0.77 NAPRT (0.40) ALDH1A1HSD17B10KDM4EALOX15HCAR2
SCHEMBL3718941 0.77 KCNJ1 (0.38) ALDH1A1HSD17B10KDM4EALOX15P4HA1
SCHEMBL3705899 0.76 ALDH1A1 (0.54) ALDH1A1HSD17B10KDM4EALOX15HCAR2
SCHEMBL185448 0.76 ALDH1A1 (0.54) ALDH1A1HSD17B10KDM4EALOX15HCAR2
SCHEMBL186175 0.74 GABRP (0.58) ALDH1A1HSD17B10KDM4EALOX15HCAR2
SCHEMBL63857 0.74 NAPRT (0.58) ALDH1A1HSD17B10KDM4EALOX15HCAR2
SCHEMBL16749632 0.74 ALDH1A1 (0.52) ALDH1A1HSD17B10KDM4EALOX15HCAR2
SCHEMBL5660197 0.74 P4HA1 (0.56) ALDH1A1HSD17B10KDM4EALOX15HCAR2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12480049-B2 Compound and liquid crystal composition THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2025-11-25 US disclosed
US-20230250338-A1 COMPOUND AND LIQUID CRYSTAL COMPOSITION THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2023-08-10 US disclosed
CN-116554889-A Compound and liquid crystal composition 香港科技大学 2023-08-08 CN disclosed
CN-113149981-B Protein degradation targeting chimera for degrading androgen receptor 苏州德亘生物医药有限公司 2022-07-05 CN disclosed
CN-113149981-A Protein degradation targeting chimera for degrading androgen receptor 苏州德亘生物医药有限公司 2021-07-23 CN disclosed
CN-110177783-A Hormone receptor modulators for the treatment of metabolic conditions and disorders 阿德利克斯股份有限公司 2019-08-27 CN disclosed
CN-102757420-B Heterotactic aryl carboxylic acid compound, preparation method thereof, medicine composition comprising compound and application of compound SHANGHAI INST MATERIA MEDICA 2015-02-04 CN disclosed
CN-102757420-A Heterotactic aryl carboxylic acid compound, preparation method thereof, medicine composition comprising compound and application of compound SHANGHAI INST MATERIA MEDICA 2012-10-31 CN disclosed
US-20080119651-A1 one pot reaction without isolating intermediates; reacting oxoalkonate with urea, trimethyl orthoformate in methanol or ethanol to yield a 2-acyl-3-ureidoacrylate, reacting intermediate with 2-hydroxypyrimidine-5-carboxylate in presence of alkali alkoxide, convering it to halo compds. with PO2Cl or SOCl2 LONZA AG (CH) 2008-05-22 US disclosed
EP-1809609-B1 PROCESS FOR THE PRODUCTION OF PYRIMIDINE-5-CARBOXYLATES LONZA AG (CH) 2008-04-16 EP disclosed
EP-1809609-A1 PROCESS FOR THE PRODUCTION OF PYRIMIDINE-5-CARBOXYLATES LONZA AG (CH) 2007-07-25 EP disclosed
WO-2006048297-A1 PROCESS FOR THE PRODUCTION OF PYRIMIDINE-5-CARBOXYLATES LONZA AG (CH) 2006-05-11 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 (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-20080119651-A1 one pot reaction without isolating intermediates; reacting oxoalkonate with urea, trimethyl orthoformate in methanol or ethanol to yield a 2-acyl-3-ureidoacrylate, reacting intermediate with 2-hydroxypyrimidine-5-carboxylate in presence of alkali alkoxide, convering it to halo compds. with PO2Cl or SOCl2 HPD, DCTD, POLD1 ALDH1A1 582/4885HSD17B10 1682/4885KDM4E 1815/4885

“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.