SCHEMBL178073

SCHEMBL178073

N#Cc1ccc(O)c(I)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.58
ALB P02768 2/20 0.58
CA12 O43570 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
CA6 P23280 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CYP19A1 P11511 1/20 0.46
MMP3 P08254 1/20 0.41
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
AR P10275 1/20 0.39
CXCR2 P25025 2/20 0.38
KDM4C Q9H3R0 1/20 0.38
PTPN11 Q06124 1/20 0.37
ENPP2 Q13822 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CXCR1 P25024 1/20 0.37

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
SCHEMBL2785702 0.84 MMP3 (0.55) TTRALBCA12CA2CA3
SCHEMBL3567872 0.82 TTR (0.52) TTRALBCA12CA2CA3
SCHEMBL30250891 0.82 TTR (0.52) TTRALBCA12CA2CA3
SCHEMBL321522 0.79 XDH (0.56) TTRALBENPP2
SCHEMBL7125883 0.79 MMP3 (0.66) TTRALBCA12CA2CA3
SCHEMBL21687453 0.78 TTR (0.52) TTRALBCA12CA2CA3
SCHEMBL29449995 0.78 CA12 (0.52) TTRALBCA12CA2CA3
SCHEMBL217250 0.78 CA12 (0.52) TTRALBCA12CA2CA3
SCHEMBL2785232 0.78 TTR (0.41) TTRALBCYP19A1MMP3KDM1A
SCHEMBL23271632 0.76 CA12 (0.50) TTRALBCA12CA2CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101497589-B Method for synthesizing 2-(3-cyano-4- isobutoxy phenyl)-4-methyl-carboxylate UNIV SHENYANG PHARMACEUTICAL 2012-08-29 CN claimed
CN-101497589-A Method for synthesizing 2-(3-cyano-4- isobutoxy phenyl)-4-methyl-carboxylate UNIV SHENYANG PHARMACEUTICAL (CN) 2009-08-05 CN claimed
JP-4226903-A None JP disclosed
JP-1168603-A None JP disclosed
CN-118561693-A Preparation method of nitroaromatic compound and compound 大连理工大学 2024-08-30 CN disclosed
US-20240287104-A1 NUCLIDE LABELLED H-TETRAZINES AND USE THEREOF FOR PET AND SPECT PRETARGETED IMAGING AND RADIONUCLIDE THERAPY RIGSHOSPITALET [DK]/[DK] (DK) 2024-08-29 US disclosed
US-20240027902-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-01-25 US disclosed
WO-2023240138-A1 INDAZOLE CONTAINING MACROCYCLES AND THEIR USE BLOSSOMHILL THERAPEUTICS, INC. (US) 2023-12-14 WO disclosed
US-20230305394-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-28 US disclosed
US-20230305393-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-28 US disclosed
US-11720018-B2 Chemically amplified resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-08-08 US disclosed
WO-2002074758-A2 NOVEL AMINES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2002-09-26 WO disclosed
EP-1222182-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS Aventis Pharmaceuticals Inc. (US) 2002-07-17 EP disclosed
WO-2002016340-A1 AMINOALKOXYBENZOYL-BENZOFURAN OR BENZOTHIOPHENE DERIVATIVES, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME SANOFI-SYNTHELABO (FR) 2002-02-28 WO disclosed
WO-2001014358-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS AVENTIS PHARMACEUTICALS INC. (DE) 2001-03-01 WO disclosed
JP-H04226903-A COMPOUND HERBICIDE COMPRISING AT LEAST ONE KIND SELECTED FROM BROMOXYNIL, IOXYNIL AND DERIVATIVE THEREOF AND 2-CHLORO-6-NITRO-3-PHENOXYANILINE RHONE POULENC AGROCHIM 1992-08-17 JP disclosed
US-5129937-A Pre- and postemergence; soybean, cotton, corn; injury free MITSUI TOATSU CHEMICALS INCORPORATED (JP) 1992-07-14 US disclosed
EP-0435186-A2 Pyridyloxypyrimidine derivatives, preparation process thereof, and herbicidal compositions containing the same as active ingredients MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-07-03 EP disclosed
JP-H01168603-A SYNERGIC COMPOSITION FOR SELECTIVELY CONTROLLING WEED IN GROWING AREA OF USEFUL PLANT CIBA GEIGY AG 1989-07-04 JP disclosed
EP-0219143-A1 Synergistic herbicidal compositions and methods of use STAUFFER CHEMICAL COMPANY (US) 1987-04-22 EP 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-20240287104-A1 NUCLIDE LABELLED H-TETRAZINES AND USE THEREOF FOR PET AND SPECT PRETARGETED IMAGING AND RADIONUCLIDE THERAPY HUNK, NUCB2, TK1 TTR 501/4885ALB 3179/4885CA12 749/4885

“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.