SCHEMBL19785604

SCHEMBL19785604

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
XDH P47989 1/20 0.50
ALDH5A1 P51649 1/20 0.46
ABAT P80404 1/20 0.46
VCAM1 P19320 1/20 0.42
ALDH1A1 P00352 2/20 0.42
DTYMK P23919 1/20 0.41
ALDH3A1 P30838 2/20 0.40
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
PRKDC P78527 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DHODH Q02127 1/20 0.38
TPMT P51580 1/20 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
SCHEMBL19785891 0.84 XDH (0.47) TSHRXDHALDH5A1ABATVCAM1
SCHEMBL14035450 0.82 XDH (0.58) TSHRXDHALDH5A1ABATVCAM1
SCHEMBL29621578 0.82 XDH (0.65) XDHALDH5A1ABATVCAM1DTYMK
SCHEMBL1515855 0.82 XDH (0.65) XDHALDH5A1ABATVCAM1DTYMK
SCHEMBL31168259 0.82 XDH (0.51) TSHRXDHALDH5A1ABATVCAM1
SCHEMBL6830067 0.80 TSHR (0.59) TSHRALDH1A1DTYMKKDM4ECYP3A4
SCHEMBL394667 0.78 TSHR (0.57) TSHRALDH1A1KDM4ECYP3A4MAPT
SCHEMBL29697071 0.78 TSHR (0.57) TSHRALDH1A1KDM4ECYP3A4MAPT
SCHEMBL13280610 0.78 TSHR (0.57) TSHRALDH1A1DTYMKTDP1L3MBTL1
SCHEMBL31451428 0.78 TSHR (0.47) TSHRXDHALDH1A1DTYMKKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TSHR 103/4885XDH 943/4885ALDH5A1 2097/4885
US-10934282-B2 Heteroaromatic modulators of the retinoid-related orphan receptor gamma RXRA, RXRG, RXRB TSHR 78/4885XDH 689/4885ALDH5A1 3021/4885
US-10662181-B2 Heteroaromatic modulators of the retinoid-related orphan receptor gamma RXRA, RXRG, RXRB TSHR 78/4885XDH 689/4885ALDH5A1 3021/4885
US-20190284177-A1 HETEROAROMATIC MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA RXRA, RXRG, RXRB TSHR 78/4885XDH 689/4885ALDH5A1 3021/4885

“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.