SCHEMBL19785780

SCHEMBL19785780

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.55
TSHR P16473 3/20 0.46
CYP3A4 P08684 2/20 0.46
ALDH1A1 P00352 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
CYP1A2 P05177 2/20 0.42
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 2/20 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
SNCA P37840 1/20 0.39
CCR6 P51684 1/20 0.39

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
SCHEMBL29613564 1.00 GPR35 (0.55) GPR35TSHRCYP3A4ALDH1A1L3MBTL1
SCHEMBL8065995 0.84 GPR35 (0.69) GPR35TSHRCYP3A4ALDH1A1L3MBTL1
SCHEMBL1667948 0.84 GPR35 (0.51) GPR35TSHRCYP3A4ALDH1A1L3MBTL1
SCHEMBL17320642 0.84 GPR35 (0.53) GPR35TSHRCYP3A4ALDH1A1L3MBTL1
SCHEMBL15776945 0.82 L3MBTL1 (0.46) GPR35TSHRCYP3A4ALDH1A1L3MBTL1
SCHEMBL15783844 0.82 HPGD (0.41) GPR35TSHRCYP3A4ALDH1A1L3MBTL1
SCHEMBL29613567 0.81 GPR35 (0.50) GPR35TSHRCYP3A4ALDH1A1L3MBTL1
SCHEMBL5200633 0.81 GPR35 (0.50) GPR35TSHRCYP3A4ALDH1A1L3MBTL1
SCHEMBL260768 0.80 GPR35 (0.67) GPR35TSHRCYP3A4ALDH1A1L3MBTL1
SCHEMBL9098889 0.79 GPR35 (0.61) GPR35TSHRCYP3A4ALDH1A1L3MBTL1

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 7 patents. 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-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
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
WO-2018011201-A1 HETEROAROMATIC MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA LEO PHARMA A/S (DK) 2018-01-18 WO 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 103/4885CYP3A4 396/4885
US-10934282-B2 Heteroaromatic modulators of the retinoid-related orphan receptor gamma RXRA, RXRG, RXRB GPR35 154/4885TSHR 78/4885CYP3A4 313/4885
US-10662181-B2 Heteroaromatic modulators of the retinoid-related orphan receptor gamma RXRA, RXRG, RXRB GPR35 154/4885TSHR 78/4885CYP3A4 313/4885
US-20190284177-A1 HETEROAROMATIC MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA RXRA, RXRG, RXRB GPR35 154/4885TSHR 78/4885CYP3A4 313/4885

“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.