SCHEMBL7579996

SCHEMBL7579996

O=[N+]([O-])c1cccc(O)c1S

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 4/20 0.62
▸ TDP1 Q9NUW8 2/20 0.50
▸ ERN1 O75460 1/20 0.47
▸ CTSB P07858 1/20 0.46
▸ CXCR2 P25025 1/20 0.44
▸ TSHR P16473 4/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ CSNK2A2 P19784 2/20 0.44
▸ CSNK2B P67870 2/20 0.44
▸ CSNK2A1 P68400 2/20 0.44
▸ CSNK2A3 Q8NEV1 2/20 0.44
▸ KCNMA1 Q12791 2/20 0.44
▸ TP53 P04637 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ S100A4 P26447 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42

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
SCHEMBL3071233 0.84 TDP1 (0.61) GPR35TDP1ERN1TSHRALDH1A1
SCHEMBL1970696 0.78 TDP1 (0.54) GPR35TDP1ERN1TSHRALDH1A1
SCHEMBL6280266 0.78 GPR35 (0.67) GPR35TDP1ERN1CTSBCXCR2
SCHEMBL70167 0.78 GPR35 (0.78) GPR35TDP1ERN1CTSBCXCR2
Catechol SCHEMBL28052795 0.78 GPR35 (0.65) GPR35TDP1ERN1CTSBCXCR2
Nitrophenolate SCHEMBL29360402 0.78 GPR35 (0.65) GPR35TDP1CTSBCXCR2TSHR
Nitrophenolate SCHEMBL26026 0.78 GPR35 (0.65) GPR35TDP1CTSBCXCR2TSHR
Nitrophenolate SCHEMBL28029048 0.78 GPR35 (0.65) GPR35TDP1CTSBCXCR2TSHR
SCHEMBL29516730 0.77 GPR35 (1.00) GPR35TDP1ERN1CTSBCXCR2
SCHEMBL16979 0.77 GPR35 (1.00) GPR35TDP1ERN1CTSBCXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6437178-B2 REACTING A HALOGENATED BENZENE COMPOUND WITH NITRO(THIO)PHENOL; REDUCTION INFINEON TECHNOLOGIES AG (DE) 2002-08-20 — — US claimed
US-20010056203-A1 O-aminophenolcarboxylic acid and o-aminothiophenolcarboxylic acid SIEMENS AKTIENGESELLSCHAFT 2001-12-27 — — US claimed
EP-0905124-B1 o-amino(thio)phenol-carboxylic acids and their preparation INFINEON TECHNOLOGIES AG (DE) 2001-12-12 — — EP claimed
EP-0905123-B1 o-amino(thio)phenol-carboxylic acids and their preparation INFINEON TECHNOLOGIES AG (DE) 2001-12-12 — — EP claimed
EP-0918050-B1 Bis-o-amino(thio)phenols and their preparation INFINEON TECHNOLOGIES AG (DE) 2001-12-12 — — EP claimed
US-6096921-A USED FOR THE PREPARATION OF HIGH-TEMPERATURE-STABLE POLYMERS, SUCH AS POLYBENZOXAZOLES AND POLYBENZTHIAZOLES SIEMENS AKTIENGESELLSCHAFT (DE) 2000-08-01 — — US claimed
EP-0918050-A1 Bis-o-amino(thio)phenols and their preparation SIEMENS AKTIENGESELLSCHAFT (DE) 1999-05-26 — — EP claimed
EP-0905124-A1 o-amino(thio)phenol-carboxylic acids and their preparation SIEMENS AKTIENGESELLSCHAFT (DE) 1999-03-31 — — EP claimed
EP-0905123-A1 o-amino(thio)phenol-carboxylic acids and their preparation SIEMENS AKTIENGESELLSCHAFT (DE) 1999-03-31 — — EP claimed
JP-11158128-A — — None — — JP disclosed
US-6437178-B2 REACTING A HALOGENATED BENZENE COMPOUND WITH NITRO(THIO)PHENOL; REDUCTION INFINEON TECHNOLOGIES AG (DE) 2002-08-20 — — US disclosed
EP-0905121-B1 o-nitro(thio)phenol compounds and their preparation INFINEON TECHNOLOGIES AG (DE) 2002-07-03 — — EP disclosed
US-20010056203-A1 O-aminophenolcarboxylic acid and o-aminothiophenolcarboxylic acid SIEMENS AKTIENGESELLSCHAFT 2001-12-27 — — US disclosed
EP-0905123-B1 o-amino(thio)phenol-carboxylic acids and their preparation INFINEON TECHNOLOGIES AG (DE) 2001-12-12 — — EP disclosed
US-3987050-A SUBSTITUTED PYRIDINYLALKOXY-, PYRIDINYLALKYLSULFONYL AND PYRIDINYLALKYLTHIO-PHENYL-LOWER-ALKANAMIDES THE DOW CHEMICAL COMPANY (US) 1976-10-19 — — US disclosed
US-3962265-A H'-(4-((6-CHLORO-2-PYRIDINYL)OXY)PHENYL)-N-METHYL-N-(1-METHYL-2-PROPYNYL)UREA THE DOW CHEMICAL COMPANY (US) 1976-06-08 — — US disclosed
US-3947437-A Substituted pyridazinyloxy(thio)phenyl ureas and derivatives thereof THE DOW CHEMICAL COMPANY (US) 1976-03-30 — — US disclosed
US-3940392-A Certain pyrazinyloxyphenyl urea compound THE DOW CHEMICAL COMPANY (US) 1976-02-24 — — US disclosed
US-3931200-A Substituted pyridinylalkoxy-, pyridinylalkylsulfonyl- and pyridinylalkylthio- phenylureas THE DOW CHEMICAL COMPANY (US) 1976-01-06 — — US disclosed
US-3931201-A HERBICIDE THE DOW CHEMICAL COMPANY (US) 1976-01-06 — — 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 (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-20010056203-A1 O-aminophenolcarboxylic acid and o-aminothiophenolcarboxylic acid TPMT, PAH, AADAT GPR35 2961/4885TDP1 3548/4885ERN1 4375/4885

“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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