SCHEMBL20528208

SCHEMBL20528208

C[C@@H]1CCC(=O)N1c1cc(Br)cc(F)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.39
MAPT P10636 4/20 0.38
MAPK1 P28482 3/20 0.38
ALDH1A1 P00352 3/20 0.33
RAPGEF3 O95398 2/20 0.32
RAPGEF4 Q8WZA2 2/20 0.32
HPD P32754 1/20 0.32
HTT P42858 2/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.30
P2RX7 Q99572 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
SCHEMBL18191679 1.00 PARP1 (0.39) PARP1MAPTMAPK1ALDH1A1RAPGEF3
SCHEMBL20528173 0.83 MAPT (0.32) MAPTMAPK1HPD
SCHEMBL20528245 0.83 MAPT (0.32) MAPTMAPK1HPD
SCHEMBL29686518 0.83 MAPT (0.32) MAPTMAPK1
SCHEMBL20528240 0.83 MAPT (0.32) MAPTMAPK1
SCHEMBL20528215 0.83 MAPT (0.32) MAPTMAPK1
SCHEMBL20528174 0.83 MAPT (0.32) MAPTMAPK1HPD
SCHEMBL20528214 0.83 MAPT (0.32) MAPTMAPK1
SCHEMBL20528238 0.83 MAPT (0.32) MAPTMAPK1
SCHEMBL18191756 0.83 MAPT (0.32) MAPTMAPK1HPD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3288931-B2 CERTAIN PROTEIN KINASE INHIBITOR CHONGQING FOCHON PHARMACEUTICAL CO LTD (CN) 2022-07-20 EP disclosed
CN-107849012-B Kinase inhibitor 重庆复创医药研究有限公司 2021-05-25 CN disclosed
EP-3288931-B1 CERTAIN PROTEIN KINASE INHIBITOR CHONGQING FOCHON PHARMACEUTICAL CO LTD (CN) 2019-11-06 EP disclosed
US-10450316-B2 Certain protein kinase inhibitor Chongqing Fochon Pharmaceutical Co., Ltd. (CN) 2019-10-22 US disclosed
US-20180291027-A1 CERTAIN PROTEIN KINASE INHIBITOR FOCHON BIOSCIENCES, LTD. (CN) 2018-10-11 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 (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-10450316-B2 Certain protein kinase inhibitor CDK4, CDK6, CDK2 PARP1 709/4885MAPT 1944/4885MAPK1 196/4885
US-20180291027-A1 CERTAIN PROTEIN KINASE INHIBITOR CDK4, CDK6, CDK2 PARP1 699/4885MAPT 1536/4885MAPK1 455/4885

“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.