SCHEMBL19785891

SCHEMBL19785891

COC(=O)c1cc(C=O)cc([N+](=O)[O-])c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.47
PDGFRB P09619 1/20 0.47
FGFR1 P11362 1/20 0.47
PDGFRA P16234 1/20 0.47
FLT1 P17948 1/20 0.47
FGFR3 P22607 1/20 0.47
KDR P35968 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH5A1 P51649 1/20 0.44
ABAT P80404 1/20 0.44
ERN1 O75460 2/20 0.43
SIRT6 Q8N6T7 1/20 0.41
VCAM1 P19320 2/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL30930573 0.85 XDH (0.45) XDHPDGFRBFGFR1PDGFRAFLT1
SCHEMBL19785604 0.84 TSHR (0.53) XDHMEN1KMT2AALDH5A1ABAT
SCHEMBL31027934 0.84 ERN1 (0.55) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL14722272 0.82 ALDH5A1 (0.55) XDHPDGFRBFGFR1PDGFRAFLT1
SCHEMBL2772097 0.82 SIRT6 (0.53) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL31615758 0.81 PDGFRB (0.55) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL6828146 0.81 GPR35 (0.52) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL14035450 0.80 XDH (0.58) XDHKMT2AALDH5A1ABATVCAM1
SCHEMBL5628047 0.80 KMT2A (0.56) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL13280358 0.80 PDGFRB (0.50) PDGFRBFGFR1PDGFRAFLT1FGFR3

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 XDH 943/4885PDGFRB 788/4885FGFR1 539/4885
US-10934282-B2 Heteroaromatic modulators of the retinoid-related orphan receptor gamma RXRA, RXRG, RXRB XDH 689/4885PDGFRB 665/4885FGFR1 526/4885
US-10662181-B2 Heteroaromatic modulators of the retinoid-related orphan receptor gamma RXRA, RXRG, RXRB XDH 689/4885PDGFRB 665/4885FGFR1 526/4885
US-20190284177-A1 HETEROAROMATIC MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA RXRA, RXRG, RXRB XDH 689/4885PDGFRB 665/4885FGFR1 526/4885

“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.