SCHEMBL22207247

SCHEMBL22207247

O=[N+]([O-])c1c(Cl)nn(C2CCCCO2)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.36
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36
YTHDC1 Q96MU7 1/20 0.33
CUL4A Q13619 1/20 0.33
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
CYP2C19 P33261 1/20 0.30
CYP4F2 P78329 2/20 0.30
CYP4A11 Q02928 2/20 0.30
RET P07949 1/20 0.30

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
SCHEMBL20640604 0.87 GAA (0.44) GAACYP1A2HPGDYTHDC1ALDH1A1
SCHEMBL25171053 0.83 CYP1A2 (0.37) GAACYP1A2HPGDYTHDC1CUL4A
SCHEMBL22207410 0.76 GAA (0.42) GAACYP1A2YTHDC1ALDH1A1LMNA
SCHEMBL22235822 0.74 GAA (0.36) GAACYP1A2HPGDALDH1A1LMNA
SCHEMBL15528303 0.73 ALDH1A1 (0.42) CYP1A2HPGDYTHDC1ALDH1A1LMNA
SCHEMBL21198132 0.73 CYP1A2 (0.44) CYP1A2HPGDALDH1A1LMNAPOLB
SCHEMBL11946485 0.72 GAA (0.35) GAACYP1A2HPGDALDH1A1LMNA
SCHEMBL22207434 0.72 CYP1A2 (0.35) CYP1A2HPGDYTHDC1ALDH1A1LMNA
SCHEMBL25753217 0.72 GAA (0.49) GAAALDH1A1LMNAPOLBCYP4F2
SCHEMBL22552469 0.71 GAA (0.54) GAAHPGDYTHDC1ALDH1A1LMNA

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
EP-3908579-B1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH INC (US) 2023-12-27 EP disclosed
US-20220089568-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. 2022-03-24 US disclosed
EP-3908579-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS Janssen Biotech, Inc. (US) 2021-11-17 EP disclosed
CN-113574054-A Dihydroorotate dehydrogenase inhibitors 詹森生物科技公司 2021-10-29 CN disclosed
US-20200392158-A1 INHIBITORS OF LEUCINE RICH REPEAT KINASE 2 GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-12-17 US disclosed
WO-2020144638-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. (US) 2020-07-16 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 (2 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-20220089568-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD GAA 292/4885CYP1A2 342/4885HPGD 75/4885
US-20200392158-A1 INHIBITORS OF LEUCINE RICH REPEAT KINASE 2 LRRK2, PARK7, PINK1 GAA 438/4885CYP1A2 4830/4885HPGD 4048/4885

“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.