SCHEMBL294494

SCHEMBL294494

[CH2]COCCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
IDO1 P14902 1/20 0.45
TSHR P16473 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
CASP1 P29466 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 3/20 0.42
CYP2A6 P11509 1/20 0.42
HTR2A P28223 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
HCAR2 Q8TDS4 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
SCHEMBL21496279 0.96 CA1 (0.42) CA1CA2CA9IDO1TSHR
SCHEMBL294856 0.86 IDO1 (0.57) IDO1TDP1HTR2AMAOA
SCHEMBL198134 0.85 TSHR (0.52) CA1CA2CA9IDO1TSHR
SCHEMBL299485 0.85 L3MBTL1 (0.51) IDO1TDP1MAOAMAOBFFAR1
SCHEMBL595455 0.84 CA1 (0.44) CA1CA2CA9IDO1TSHR
SCHEMBL299681 0.83 TDP1 (0.54) IDO1TDP1MAOAMAOB
SCHEMBL11247567 0.83 IDO1 (0.53) IDO1TDP1HTR2A
SCHEMBL9021195 0.83 TDP1 (0.54) IDO1TDP1MAOAMAOB
SCHEMBL8496055 0.83 TDP1 (0.54) IDO1TDP1MAOAMAOB
SCHEMBL8729752 0.83 TDP1 (0.54) IDO1TDP1MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020116430-A1 HERBICIDAL COMPOSITION AND WEED CONTROL METHOD 住友化学株式会社 2020-06-11 WO claimed
EP-2520570-A1 AMINOPYRIDINE COMPOUND Ube Industries, Ltd. (JP) 2012-11-07 EP claimed
US-20120259123-A1 AMINOPYRIDINE COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-10-11 US claimed
CN-102666490-A Aminopyridine compound UBE INDUSTRIES 2012-09-12 CN claimed
US-5872262-A COMPOUNDS AS INHIBITORS OF PLASMEPSIN AND CATHEPSIN PHARMACOPEIA, INC. (US) 1999-02-16 US claimed
US-5734054-A Hydroxy-amino acid amides PHARMACOPEIA, INC. (US) 1998-03-31 US claimed
EP-0345591-B1 PROPANOL AMINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1993-03-31 EP claimed
US-5017619-A Anitdiabetic HOFFMANN-LA ROCHE INC. (US) 1991-05-21 US claimed
US-4958024-A REACTION OF CARBAMATE SUBSTITUTED ACRYLIC ESTER, VASODILATORS, HYPOTENSIVE AGENTS BANYU PHARMACEUTICAL COMPANY, LTD. (JP) 1990-09-18 US claimed
US-4914227-A FOR VASODILATING AND HYPOTENSIVE AGENTS BANYU PHARMACEUTICAL COMPANY, LTD. (JP) 1990-04-03 US claimed
EP-0101023-B1 PROCESS FOR PREPARING 2-CARBAMOYLOXYALKYL-1,4-DIHYDROPYRIDINE DERIVATIVES AND INTERMEDIATES USEFUL FOR THE PROCESS BANYU PHARMACEUTICAL CO., LTD. (JP) 1987-07-29 EP claimed
EP-0202294-A1 SYNERGISTIC HERBICIDAL COMPOSITIONS. INNOFINANCE ALTALANOS INNOVACI (HU) 1986-11-26 EP claimed
EP-0102729-B1 NITROTHIAZOLEAZO COMPOUNDS, THEIR PREPARATION AND USE IN DYEING SYNTHETIC FIBERS RESEARCH ASSOCIATION OF DYESTUFF MANUFACTURES (JP) 1986-11-05 EP claimed
WO-1986003100-A1 SYNERGISTIC HERBICIDAL COMPOSITIONS INNOFINANCE ÁLTALÁNOS INNOVÁCIÓS PÉNZINTÉZET (HU) 1986-06-05 WO claimed
EP-0101023-A1 Process for preparing 2-carbamoyloxyalkyl-1,4-dihydropyridine derivatives and intermediates useful for the process BANYU PHARMACEUTICAL CO., LTD. (JP) 1984-02-22 EP claimed
US-4404378-A HYPOTENSIVE AGENTS; VASODILATION BANYU PHARMACEUTICAL CO., LTD. (JP) 1983-09-13 US claimed
EP-0063747-A1 2-Substituted or unsubstituted aminocarbonyloxyalkyl-1,4-dihydropyridines BANYU PHARMACEUTICAL CO., LTD. (JP) 1982-11-03 EP claimed
EP-0063359-A1 1,4-Dihydropyridine derivatives and processes for preparing the same BANYU PHARMACEUTICAL CO., LTD. (JP) 1982-10-27 EP claimed
US-4252716-A BLUE SHADES BAYER AKTIENGESELLSCHAFT (DE) 1981-02-24 US claimed
US-3991042-A Basic azo dyestuffs containing a benzthiazole and a tetrahydroquinoline nucleus BAYER AKTIENGESELLSCHAFT (DT) 1976-11-09 US claimed

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-20120259123-A1 AMINOPYRIDINE COMPOUND PTGIS, QDPR, PTGIR CA1 3171/4885CA2 48/4885CA9 622/4885

“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.