SCHEMBL22286159

SCHEMBL22286159

Cc1nn(C)c2[nH]c(-c3ccc(F)cc3Cl)c(O)c(=O)c12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.38
PARP1 P09874 4/20 0.37
P2RX7 Q99572 2/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
NR3C1 P04150 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ARF6 P62330 1/20 0.34
THRB P10828 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL22286058 0.89 MAPK8 (0.42) HSD11B1PARP1MAPK8MAPK9MAPT
SCHEMBL22286110 0.89 PARP1 (0.38) PARP1LMNAMAPTTHRBCYP1A2
SCHEMBL22286037 0.86 MAPK8 (0.41) HSD11B1P2RX7MAPK8MAPK9LMNA
SCHEMBL20550815 0.85 CRHR1 (0.39) PARP1NR3C1
SCHEMBL22304826 0.85 PARP1 (0.36) PARP1MAPK8MAPK9LMNAMAPT
SCHEMBL22286089 0.84 MAPK8 (0.41) HSD11B1PARP1MAPK8MAPK9NR3C1
SCHEMBL22286022 0.84 LMNA (0.47) HSD11B1PARP1NR3C1LMNA
SCHEMBL20551344 0.82 MAPK8 (0.42) PARP1MAPK8MAPK9MAPT
SCHEMBL20551177 0.80 NR3C1 (0.41) PARP1NR3C1
SCHEMBL20552339 0.78 KDM4E (0.40) PARP1THRBCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2020-08-06 US claimed
CN-110914263-A Substituted bicyclic heterocyclic compounds as NADPH oxidase inhibitors 格兰马克药品股份有限公司 2020-03-24 CN claimed
US-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2020-08-06 US disclosed
US-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2020-08-06 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 (1 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-20200247800-A1 SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS NADPH OXIDASE INHIBITORS NOX1, CYBB, NOX4 HSD11B1 503/4885PARP1 725/4885P2RX7 1184/4885

“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.