SCHEMBL3611223

SCHEMBL3611223

Cc1c(N)cc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.47
ALDH1A1 P00352 4/20 0.44
CYP3A4 P08684 3/20 0.44
PDE7A Q13946 3/20 0.43
CYP1A2 P05177 1/20 0.43
RECQL P46063 1/20 0.43
TDP1 Q9NUW8 5/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX15 P16050 1/20 0.41
PDE7B Q9NP56 1/20 0.41

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
SCHEMBL4437133 0.98 TSHR (0.46) TSHRALDH1A1CYP3A4PDE7ACYP1A2
SCHEMBL3612247 0.86 TDP1 (0.54) TSHRALDH1A1CYP3A4CYP1A2TDP1
SCHEMBL629679 0.80 TSHR (0.55) TSHRALDH1A1CYP3A4CYP1A2RECQL
SCHEMBL259813 0.80 TSHR (0.60) TSHRALDH1A1CYP3A4CYP1A2RECQL
SCHEMBL1330407 0.80 TSHR (0.55) TSHRALDH1A1CYP3A4CYP1A2RECQL
SCHEMBL10610184 0.80 ALDH1A1 (0.47) TSHRALDH1A1CYP3A4PDE7ATDP1
SCHEMBL18829958 0.80 CYP1A2 (0.55) TSHRALDH1A1CYP3A4CYP1A2RECQL
SCHEMBL8903476 0.80 ALDH1A1 (0.55) TSHRALDH1A1CYP3A4PDE7ATDP1
SCHEMBL3864393 0.80 TSHR (0.54) TSHRALDH1A1CYP3A4CYP1A2TDP1
SCHEMBL938651 0.78 GPR35 (0.61) TSHRALDH1A1CYP3A4CYP1A2RECQL

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102372675-B 6-chlorine-4-iodine indazole, preparation method and application thereof WANG NA 2013-12-18 CN disclosed
CN-102372675-A 6-chlorine-4-iodine indazole, preparation method and application thereof SHENZHEN INOVA MEDICAL TECHNOLOGY DEV CO LTD 2012-03-14 CN disclosed
US-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2010-03-11 US disclosed
US-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA, INC. (US) 2010-03-11 US disclosed
CN-101553492-A RAF inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC (US) 2009-10-07 CN disclosed
EP-2057168-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2009-05-13 EP disclosed
WO-2008028141-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2008-03-06 WO disclosed
WO-2008028141-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2008-03-06 WO disclosed
EP-0887346-B1 N-Phenyl-alkylsulfonamide derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists HOFFMANN LA ROCHE (CH) 2007-12-12 EP disclosed
CN-1262547-C Phenyl-and aminophenyl-alkyl sulfonamide and urea derivative HOFFMANN LA ROCHE (CH) 2006-07-05 CN disclosed
CN-1176910-C Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives - 2004-11-24 CN disclosed
CN-1515562-A Phenyl-and aminophenyl-alkyl sulfonamide and urea derivative - 2004-07-28 CN disclosed
CN-1515559-A Phenyl-and aminophenyl-alkyl sulfonamide and urea derivative - 2004-07-28 CN disclosed
US-6057349-A ALPHA.SUB.1A/1L AGONISTS USED IN THE TREATMENT OF VARIOUS DISEASE STATES SUCH AS URINARY INCONTINENCE, NASAL CONGESTION, PRIAPISM, DEPRESSION, ANXIETY, DEMENTIA, SENILITY, ALZHEIMER'S, DEFICIENCIES IN ATTENTIVENESS AND COGNITION, AND F. HOFFMAN LA ROCHE AG (CH) 2000-05-02 US disclosed
US-5952362-A INHIBITOR OF GLYCOGEN PHOSPHORYLASE ENZYMETIC ACTIVITY AND GLUCOSE ACITIVITY SYNTEX (U.S.A) INC. (US) 1999-09-14 US disclosed
EP-0887346-A2 Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists F. HOFFMANN-LA ROCHE AG (CH) 1998-12-30 EP disclosed
CN-1203228-A Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives HOFFMANN LA ROCHE (CH) 1998-12-30 CN 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-20100063066-A1 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF BRAF, RAF1, ARAF TSHR 2513/4885ALDH1A1 985/4885CYP3A4 4052/4885

“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.