SCHEMBL89002

SCHEMBL89002

S=c1ccc2ccccc2[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 1.00
▸ CA1 P00915 2/20 0.54
▸ CA4 P22748 2/20 0.54
▸ CA6 P23280 2/20 0.54
▸ CA12 O43570 1/20 0.54
▸ CA3 P07451 1/20 0.54
▸ CA5A P35218 1/20 0.54
▸ CA7 P43166 1/20 0.54
▸ CA9 Q16790 1/20 0.54
▸ CA13 Q8N1Q1 1/20 0.54
▸ CA14 Q9ULX7 1/20 0.54
▸ CA5B Q9Y2D0 1/20 0.54
▸ TRPA1 O75762 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ ITGB2 P05107 1/20 0.48
▸ ICAM1 P05362 1/20 0.48
▸ ITGAL P20701 1/20 0.48
▸ AHR P35869 1/20 0.48
▸ ADK P55263 1/20 0.48
▸ MAPT P10636 4/20 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
Benzene SCHEMBL27824443 0.98 ALDH1A1 (0.95) ALDH1A1CA1CA4CA6CA12
SCHEMBL403269 0.70 ALDH1A1 (0.54) ALDH1A1CA1CA4CA6CA12
SCHEMBL29351086 0.70 CA12 (1.00) ALDH1A1CA1CA4CA6CA12
SCHEMBL30958273 0.70 CA12 (1.00) ALDH1A1CA1CA4CA6CA12
SCHEMBL29597557 0.70 ALDH1A1 (0.54) ALDH1A1CA1CA4CA6CA12
SCHEMBL5437282 0.70 CA12 (1.00) ALDH1A1CA1CA4CA6CA12
SCHEMBL8621 0.70 CA12 (1.00) ALDH1A1CA1CA4CA6CA12
SCHEMBL29152421 0.70 ALDH1A1 (0.54) ALDH1A1CA1CA4CA6CA12
SCHEMBL38658245 0.69 CA1 (0.52) ALDH1A1CA1CA4CA6CA12
SCHEMBL5548525 0.69 AHR (0.55) ALDH1A1AHRMAPTKDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12391664-B2 GluN2C/D subunit selective antagonists of the N-methyl-D-aspartate receptor EMORY UNIVERSITY (US) 2025-08-19 — — US claimed
US-20240294493-A1 GluN2C/D Subunit Selective Antagonists of the N-Methyl-D-Aspartate Receptor UNIV EMORY (US) 2024-09-05 — — US claimed
US-11981652-B2 GluN2C/D subunit selective antagonists of the N-methyl-D-aspartate receptor EMORY UNIVERSITY (US) 2024-05-14 — — US claimed
WO-2024026354-A2 METHODS AND COMPOSITIONS FOR USE IN TREATING AUTOSOMAL RECESSIVE POLYCYSTIC KIDNEY DISEASE (ARPKD) THE GENERAL HOSPITAL CORPORATION (US) 2024-02-01 — — WO claimed
CN-117203324-A Novel yeast strains and their use in controlling plant pathogens 爱农创投有限公司 2023-12-08 — — CN claimed
CN-114815428-A Photochromic material 惠州市华阳光学技术有限公司 2022-07-29 — — CN claimed
CN-114805354-A Preparation method of quinoline-2-thioketone compound 河南工程学院 2022-07-29 — — CN claimed
CN-111426673-A Gold and silver hybrid nano-particles and preparation method and application thereof 南京工业大学 2020-07-17 — — CN claimed
US-7629468-B2 Neuroprotectants, analgesics or anticonvulsants JANSSEN PHARMACEUTICA NV (BE) 2009-12-08 — — US claimed
US-20050209273-A1 Metabotropic glutamate receptor antagonists JANSSEN PHARMACEUTICA N.V. (BE) 2005-09-22 — — US claimed
WO-2003064393-A1 THIO-CARBOSTYRIL DERIVATIVE, ITS N-OXIDES AND THE N-OXIDES OF ARIPIPRAZOLE AXON BIOCHEMICALS B.V. (NL) 2003-08-07 — — WO claimed
WO-1995020637-A2 HYDROCARBON OIL-AQUEOUS FUEL AND ADDITIVE COMPOSITIONS MEG S.N.C. DI SCOPELLITI SOFIA & C. (IT) 1995-08-03 — — WO claimed
US-5399339-A Process for the preparation of nitride complexes of transition metals CIS BIO INTERNATIONAL (FR) 1995-03-21 — — US claimed
US-4551419-A HIGH PHOTSENSITIVITY AND CONTRAST BY INCLUDING A SULFUR COMPOUND AND A MERCAPTO-CONTAINING AZAINDENE STABILIZER FUJI PHOTO FILM CO., LTD. (JP) 1985-11-05 — — US claimed
US-4216284-A NONDIFFUSIBLE SILVER BLEACH INHIBITOR FUJI PHOTO FILM CO., LTD. (JP) 1980-08-05 — — US claimed
US-4001020-A DEVELOPING A SILVER HA1IDE EMULSION IN CONTACT WITH A HETEROCYCLIC THIONE AND A POLYALKYLENE OXIDE FUJI PHOTO FILM CO., LTD. (JA) 1977-01-04 — — US claimed
JP-55036444-A — — None — — JP disclosed
JP-56049362-A — — None — — JP disclosed
US-4026807-A CORROSION INHIBITORS PETROLITE CORPORATION (US) 1977-05-31 — — US disclosed
US-4001020-A DEVELOPING A SILVER HA1IDE EMULSION IN CONTACT WITH A HETEROCYCLIC THIONE AND A POLYALKYLENE OXIDE FUJI PHOTO FILM CO., LTD. (JA) 1977-01-04 — — 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 (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-20240294493-A1 GluN2C/D Subunit Selective Antagonists of the N-Methyl-D-Aspartate Receptor GRIN2C, GRIN2A, GRIN2B ALDH1A1 1930/4885CA1 3791/4885CA4 4884/4885
US-12391664-B2 GluN2C/D subunit selective antagonists of the N-methyl-D-aspartate receptor GRIN2C, GRIN2A, GRIN2B ALDH1A1 1930/4885CA1 3791/4885CA4 4884/4885
US-11981652-B2 GluN2C/D subunit selective antagonists of the N-methyl-D-aspartate receptor GRIN2C, GRIN2A, GRIN2B ALDH1A1 1930/4885CA1 3791/4885CA4 4884/4885
US-20050209273-A1 Metabotropic glutamate receptor antagonists GRM3, GRM1, GRIN3A ALDH1A1 2026/4885CA1 685/4885CA4 2695/4885

“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.

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