SCHEMBL9460699

SCHEMBL9460699

O=C=Nc1cccc(O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.46
CA12 O43570 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
ALDH1A1 P00352 3/20 0.46
CA14 Q9ULX7 2/20 0.46
LMNA P02545 1/20 0.46
CA5A P35218 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
MAPK1 P28482 1/20 0.45
TRPA1 O75762 1/20 0.42
CDK4 P11802 2/20 0.40
CCND1 P24385 2/20 0.40
CCNT1 O60563 1/20 0.40
CCNE2 O96020 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CDK7 P50613 1/20 0.40

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
Carbon Dioxide SCHEMBL9270437 0.98 CYP3A4 (0.44) CYP3A4CA12CA2CA9ALDH1A1
SCHEMBL10615043 0.84 TDP1 (0.54) CYP3A4CA12CA2CA9ALDH1A1
SCHEMBL27873 0.84 TDP1 (0.54) CYP3A4CA12CA2CA9ALDH1A1
SCHEMBL27621561 0.81 TDP1 (0.52) CYP3A4ALDH1A1TDP1MAPK1TRPA1
Ethylene SCHEMBL10425506 0.79 TDP1 (0.50) CYP3A4ALDH1A1TDP1MAPK1TRPA1
SCHEMBL30940204 0.79 CA12 (0.58) CYP3A4CA12CA2CA9ALDH1A1
SCHEMBL5721846 0.79 CA12 (0.58) CYP3A4CA12CA2CA9ALDH1A1
SCHEMBL5721840 0.79 CA12 (0.58) CYP3A4CA12CA2CA9ALDH1A1
SCHEMBL9701237 0.78 MIF (0.54) CYP3A4CA12CA2CA9ALDH1A1
SCHEMBL30365208 0.77 TDP1 (0.48) CYP3A4CA12CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12559455-B2 Compound as a UBR box domain ligand AUTOTAC INC. (KR) 2026-02-24 US disclosed
US-20230174470-A1 COMPOUND AS A UBR BOX DOMAIN LIGAND AUTOTAC INC. (KR) 2023-06-08 US disclosed
WO-2023074936-A1 BIFUNCTIONAL COMPOUND USING UBR BOX DOMAIN-BINDING LIGAND 주식회사 오토텍바이오 2023-05-04 WO disclosed
EP-4144722-A1 COMPOUND AS UBR BOX DOMAIN LIGAND Autotac Inc. (KR) 2023-03-08 EP disclosed
CN-115715285-A Compounds as UBR box domain ligands 奧土择破利悟 2023-02-24 CN disclosed
CN-106810512-B IDH2 mutant inhibitor and application thereof 江苏省中医药研究院 2019-09-10 CN disclosed
CN-106810512-A IDH2 mutant inhibitor and application thereof 江苏省中医药研究院 2017-06-09 CN disclosed
US-8710049-B2 Diaminocyclohexane compounds and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-29 US disclosed
US-20130184262-A1 DIAMINOCYCLOHEXANE COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2013-07-18 US disclosed
WO-2013012829-A1 DIAMINOCYCLOHEXANE COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-24 WO disclosed
WO-2012177896-A1 TRPM8 ANTAGONISTS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2012-12-27 WO disclosed
US-5237100-A Fungicide intermediates NIHON BAYER AGROCHEM K.K. (JP) 1993-08-17 US disclosed
US-4857556-A FUNGICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-08-15 US disclosed
EP-0113028-B1 SUBSTITUED BENZYLCYCLOALKENYL UREA DERIVATIVES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-04-30 EP disclosed
EP-0113028-A1 Substitued benzylcycloalkenyl urea derivatives NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1984-07-11 EP disclosed
US-4131751-A PHENYLENE, PLANT GROWTH REGULATORS BASF AKTIENGESELLSCHAFT (DE) 1978-12-26 US 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 (3 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-20130184262-A1 DIAMINOCYCLOHEXANE COMPOUNDS AND USES THEREOF NPY4R, NPY2R, NPY1R CYP3A4 1357/4885CA12 1880/4885CA2 1028/4885
US-20230174470-A1 COMPOUND AS A UBR BOX DOMAIN LIGAND UBR4, UBQLN2, UBTF CYP3A4 4471/4885CA12 4586/4885CA2 4852/4885
US-12559455-B2 Compound as a UBR box domain ligand UBR4, UBTF, UBQLN1 CYP3A4 4365/4885CA12 4458/4885CA2 4588/4885

“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.