SCHEMBL6010888

SCHEMBL6010888

Cc1c(Cl)cc([N+](=O)[O-])c(O)c1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 7/20 0.61
ALDH1A1 P00352 4/20 0.49
TDP1 Q9NUW8 5/20 0.45
MEN1 O00255 4/20 0.45
MAPT P10636 4/20 0.45
KMT2A Q03164 4/20 0.45
KDM4E B2RXH2 3/20 0.45
HTT P42858 3/20 0.45
PKM P14618 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP3A4 P08684 1/20 0.43
TTR P02766 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL6010818 0.87 GPR35 (0.57) GPR35ALDH1A1TDP1MEN1MAPT
SCHEMBL8044810 0.85 GPR35 (0.61) GPR35ALDH1A1TDP1MEN1MAPT
SCHEMBL5041429 0.85 GPR35 (0.53) GPR35ALDH1A1TDP1MEN1MAPT
SCHEMBL10603471 0.82 GPR35 (0.52) GPR35ALDH1A1TDP1SMN1; SMN2CYP3A4
SCHEMBL31053019 0.82 GPR35 (0.74) GPR35ALDH1A1TDP1MEN1MAPT
SCHEMBL17744644 0.82 GPR35 (0.52) GPR35ALDH1A1TDP1MEN1MAPT
SCHEMBL9112380 0.80 GPR35 (0.83) GPR35ALDH1A1TDP1MEN1MAPT
SCHEMBL3234929 0.79 TSHR (0.55) GPR35ALDH1A1TDP1CYP3A4CYP1A2
SCHEMBL8083889 0.79 GPR35 (0.58) GPR35ALDH1A1TDP1MEN1MAPT
SCHEMBL10981893 0.79 GPR35 (0.47) GPR35ALDH1A1TDP1SMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4038328-A PROCESS FOR PREPARING 2-NITRO-4,6-DICHLORO-5-METHYLPHENOL BAYER AKTIENGESELLSCHAFT (DT) 1977-07-26 US claimed
JP-57067543-A None JP disclosed
JP-54073742-A None JP disclosed
JP-5208938-A None JP disclosed
US-7045516-B1 Benzoxazole derivatives and drugs containing the same as the active ingredient KOICHI SHUDO (JP) 2006-05-16 US disclosed
EP-1134220-B1 BENZOXAZOLE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT SHUDO KOICHI (JP) 2004-08-18 EP disclosed
EP-1137632-B1 THIOUREA INHIBITORS OF HERPES VIRUSES WYETH CORP (US) 2004-07-28 EP disclosed
EP-1137645-B1 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP WYETH CORP (US) 2004-05-26 EP disclosed
US-6555561-B2 N-(5-((((5-Chloro-2,4-dimethoxyphenyl)amino)thioxomethyl)-amino)-2 -pyridinyl)-2-methylbenzamide, for example; inhibiting replication of a herpes virus WYETH 2003-04-29 US disclosed
US-20030036653-A1 Diaminopyridine-containing thiourea inhibitors of herpes viruses AMERICAN HOME PRODUCTS CORPORATION 2003-02-20 US disclosed
EP-0473464-A1 Process for preparing 2-4-dichloro-3-alkyl-6-nitrophenols TAOKA CHEMICAL CO., LTD (JP) 1992-03-04 EP disclosed
WO-1991002717-A1 PROCESS FOR PREPARING 5-CHLOR-2-HYDROXY-4-ALKYL-BENZENE-SULPHONIC ACIDS HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-07 WO disclosed
EP-0175151-B1 2,4-DICHLORO-3-ALKYL-6-NITROPHENOLS AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1989-01-18 EP disclosed
US-4670608-A CATALYTIC CHLORINATION OF 1-ALKYL-4-NITROBENZENE BAYER AKTIENGESELLSCHAFT (DE) 1987-06-02 US disclosed
EP-0175151-A1 2,4-Dichloro-3-alkyl-6-nitrophenols and process for their preparation BAYER AG (DE) 1986-03-26 EP disclosed
JP-S5767543-A PREPARATION OF 2-AMINO-4,6-DICHLORO-5-METHYLPHENOL YODOGAWA SEIYAKU KK 1982-04-24 JP disclosed
JP-S5473742-A PRODUCTION OF 2-NITRO-4,6-DICHLORO-5-METHYLPHENOL SUMITOMO CHEM CO LTD 1979-06-13 JP disclosed
US-4038328-A PROCESS FOR PREPARING 2-NITRO-4,6-DICHLORO-5-METHYLPHENOL BAYER AKTIENGESELLSCHAFT (DT) 1977-07-26 US disclosed
US-3903178-A Method for preparing 2-nitro-4,6-dichloro-5-methylphenol FUJI PHOTO FILM CO LTD 1975-09-02 US disclosed
US-3903178-A Method for preparing 2-nitro-4,6-dichloro-5-methylphenol FUJI PHOTO FILM CO LTD 1975-09-02 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-20030036653-A1 Diaminopyridine-containing thiourea inhibitors of herpes viruses HAVCR2, CCR6, CXCR6 GPR35 3002/4885ALDH1A1 3447/4885TDP1 452/4885

“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.