SCHEMBL5200633

SCHEMBL5200633

Cc1cc(CCl)c(C)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.50
TSHR P16473 6/20 0.47
ALDH1A1 P00352 5/20 0.47
CYP3A4 P08684 2/20 0.46
TDP1 Q9NUW8 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
CYP1A2 P05177 2/20 0.42
MAPT P10636 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 1/20 0.41
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
CCR6 P51684 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL29613567 1.00 GPR35 (0.50) GPR35TSHRALDH1A1CYP3A4TDP1
SCHEMBL19526600 0.84 ALDH1A1 (0.47) GPR35TSHRALDH1A1CYP3A4TDP1
SCHEMBL17298228 0.84 TSHR (0.46) GPR35TSHRALDH1A1CYP3A4TDP1
SCHEMBL19785780 0.81 GPR35 (0.55) GPR35TSHRALDH1A1CYP3A4TDP1
SCHEMBL29613564 0.81 GPR35 (0.55) GPR35TSHRALDH1A1CYP3A4TDP1
SCHEMBL260768 0.80 GPR35 (0.67) GPR35TSHRALDH1A1CYP3A4TDP1
SCHEMBL4034840 0.78 TSHR (0.60) GPR35TSHRALDH1A1CYP3A4CYP1A2
SCHEMBL68365 0.78 TSHR (0.60) GPR35TSHRALDH1A1CYP3A4TDP1
Benzene SCHEMBL27490159 0.76 GPR35 (0.61) GPR35TSHRALDH1A1CYP3A4TDP1
SCHEMBL15787196 0.75 KAT2B (0.47) GPR35TSHRALDH1A1CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109476653-B Heteroaromatic modulators of retinoid-related orphan receptor gamma 利奥制药有限公司 2022-04-22 CN disclosed
US-10934282-B2 Heteroaromatic modulators of the retinoid-related orphan receptor gamma LEO PHARMA A/S (DK) 2021-03-02 US disclosed
US-10934282-B2 Heteroaromatic modulators of the retinoid-related orphan receptor gamma LEO PHARMA A/S (DK) 2021-03-02 US disclosed
US-20200291010-A1 HETEROAROMATIC MDOULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA LEO PHARMA A/S 2020-09-17 US disclosed
US-20200291010-A1 HETEROAROMATIC MDOULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA LEO PHARMA A/S 2020-09-17 US disclosed
EP-3484880-B1 HETEROAROMATIC MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA LEO PHARMA AS (DK) 2020-09-02 EP disclosed
EP-3484880-B1 HETEROAROMATIC MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA LEO PHARMA AS (DK) 2020-09-02 EP disclosed
US-10662181-B2 Heteroaromatic modulators of the retinoid-related orphan receptor gamma LEO PHARMA A/S (DK) 2020-05-26 US disclosed
US-10662181-B2 Heteroaromatic modulators of the retinoid-related orphan receptor gamma LEO PHARMA A/S (DK) 2020-05-26 US disclosed
US-20190284177-A1 HETEROAROMATIC MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA LEO PHARMA A/S (DK) 2019-09-19 US 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
US-4444776-A ANTITUMOR, ANTIVIRAL AGENCE NATIONALE DE VALORISATION DE LA RECHERCHE (A N V A R) (FR) 1984-04-24 US disclosed
US-4266060-A ANTITUMOR ANTIVIRAL AGENTS FOR TREATMENT OF CANCER AGENCE NATIONALE DE VAL ORISATION DE LA RECHERCHE (ANVAR) (FR) 1981-05-05 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 (4 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-20200291010-A1 HETEROAROMATIC MDOULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA RXRA, RORA, NR1H3 GPR35 180/4885TSHR 103/4885ALDH1A1 389/4885
US-10934282-B2 Heteroaromatic modulators of the retinoid-related orphan receptor gamma RXRA, RXRG, RXRB GPR35 154/4885TSHR 78/4885ALDH1A1 499/4885
US-10662181-B2 Heteroaromatic modulators of the retinoid-related orphan receptor gamma RXRA, RXRG, RXRB GPR35 154/4885TSHR 78/4885ALDH1A1 499/4885
US-20190284177-A1 HETEROAROMATIC MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA RXRA, RXRG, RXRB GPR35 154/4885TSHR 78/4885ALDH1A1 499/4885

“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.