SCHEMBL3405052

SCHEMBL3405052

Nc1cccc(I)c1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.45
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SENP8 Q96LD8 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
G6PD P11413 1/20 0.36

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
SCHEMBL4851263 0.84 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL1000014 0.84 MMP2 (0.54) MMP2CA12CA1CA2CA7
SCHEMBL19972006 0.81 ALDH1A1 (0.45) MMP2HDAC3HDAC1HDAC2MAPK1
SCHEMBL30742728 0.81 ALDH1A1 (0.45) MMP2HDAC3HDAC1HDAC2MAPK1
SCHEMBL18043789 0.79 MMP2 (0.50) MMP2CA12CA1CA2CA7
SCHEMBL1211014 0.76 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL29409634 0.76 CA12 (0.70) MMP2CA12CA1CA2CA7
SCHEMBL29367294 0.76 MMP2 (0.63) MMP2CA12CA1CA2CA7
SCHEMBL15869337 0.76 MMP2 (0.63) MMP2CA12CA1CA2CA7
SCHEMBL689217 0.76 CA12 (0.70) MMP2CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104070307-B Solder flux composition and solder composition 株式会社田村制作所 2018-02-23 CN claimed
US-10220100-B2 Halogenated phenols for diagnostics, antioxidant protection and drug delivery LATHAM KEITH R (US) 2019-03-05 US disclosed
US-20180369395-A9 Halogenated Phenols for Diagnostics, Antioxidant Protection and Drug Delivery LATHAM KEITH R (US) 2018-12-27 US disclosed
US-20180117164-A1 Halogenated Phenols for Diagnostics, Antioxidant Protection and Drug Delivery LATHAM KEITH R (US) 2018-05-03 US disclosed
CN-104070307-B Solder flux composition and solder composition 株式会社田村制作所 2018-02-23 CN disclosed
CN-104395291-B N-ethyl-4-hydroxy-1-methyl-5- (methyl (2,3,4,5, 6-pentahydroxyhexyl) amino) -2-oxo-N-phenyl-1, 2-dihydroquinoline-3-carboxamide 泰华制药工业有限公司 2017-07-28 CN disclosed
US-9144613-B2 Halogenated phenols for diagnostics, antioxidant protection and drug delivery LATHAM KEITH R (US) 2015-09-29 US disclosed
US-9125946-B2 Halogenated phenols for diagnostics, antioxidant protection and drug delivery LATHAM KEITH R (US) 2015-09-08 US disclosed
CN-104395291-A N-ethyl-4-hydroxy-1-methyl-5- (methyl (2,3,4,5, 6-pentahydroxyhexyl) amino) -2-oxo-N-phenyl-1, 2-dihydroquinoline-3-carboxamide TEVA PHARMA 2015-03-04 CN disclosed
CN-104070307-A FLUX COMPOSITION AND SOLDER COMPOSITION TAMURA SEISAKUSHO KK 2014-10-01 CN disclosed
US-20130018026-A1 HALOGENATED PHENOLS FOR DIAGNOSTICS, ANTIOXIDANT PROTECTION AND DRUG DELIVERY IPE, INC. 2013-01-17 US disclosed
US-20130017163-A1 HALOGENATED PHENOLS FOR DIAGNOSTICS, ANTIOXIDANT PROTECTION AND DRUG DELIVERY IPE, INC. 2013-01-17 US disclosed
WO-2013010102-A2 HALOGENATED PHENOLS FOR DIAGNOSTICS, ANTIOXIDANT PROTECTION AND DRUG DELIVERY LATHAM KEITH R (US) 2013-01-17 WO disclosed
EP-2252605-A2 LABELLED ANALOGUES OF HALOBENZAMIDES AS MULTIMODAL RADIOPHARMACEUTICALS AND THEIR PRECURSORS Institut National de la Santé et de la Recherche Médicale (INSERM) (FR) 2010-11-24 EP disclosed
WO-2009095872-A2 LABELLED ANALOGUES OF HALOBENZAMIDES AS MULTIMODAL RADIOPHARMACEUTICALS AND THEIR PRECURSORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2009-08-06 WO disclosed
EP-1777215-A1 METHOD FOR PRODUCING 2-AMINO-5-IODOBENZOIC ACID MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2007-04-25 EP disclosed
EP-0147211-B1 4H-3,1-BENZOXAZIN-4-ONES AND RELATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION SYNTEX (U.S.A.) INC. (US) 1990-09-12 EP disclosed
US-4657893-A ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) INC. (US) 1987-04-14 US disclosed
EP-0147211-A2 4H-3,1-benzoxazin-4-ones and related compounds, pharmaceutical compositions containing them, and processes for their preparation SYNTEX (U.S.A.) INC. (US) 1985-07-03 EP disclosed
US-4337270-A ANTIALLERGENS; ANTIANAPHYLACTIC AGENTS HISAMITSU PHARMACEUTICAL CO., INC. (JP) 1982-06-29 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 (5 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-20130018026-A1 HALOGENATED PHENOLS FOR DIAGNOSTICS, ANTIOXIDANT PROTECTION AND DRUG DELIVERY COMT, GPX4, GPX1 MMP2 78/4885CA12 1825/4885CA1 2099/4885
US-20180369395-A9 Halogenated Phenols for Diagnostics, Antioxidant Protection and Drug Delivery COMT, GPX4, GPX1 MMP2 78/4885CA12 1825/4885CA1 2099/4885
US-10220100-B2 Halogenated phenols for diagnostics, antioxidant protection and drug delivery COMT, GPX4, GPX1 MMP2 78/4885CA12 1825/4885CA1 2099/4885
US-20180117164-A1 Halogenated Phenols for Diagnostics, Antioxidant Protection and Drug Delivery COMT, GPX4, GPX1 MMP2 78/4885CA12 1825/4885CA1 2099/4885
US-20130017163-A1 HALOGENATED PHENOLS FOR DIAGNOSTICS, ANTIOXIDANT PROTECTION AND DRUG DELIVERY TYR, PRDX5, PPARG MMP2 834/4885CA12 3118/4885CA1 4349/4885

“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.