SCHEMBL16060163

SCHEMBL16060163

Cc1nn(C)c(-c2ccc(Br)cc2)c1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
RXFP1 Q9HBX9 2/20 0.44
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GFER P55789 1/20 0.43
NTRK1 P04629 1/20 0.42
PIM1 P11309 1/20 0.42
ACVR1 Q04771 1/20 0.42
DHODH Q02127 1/20 0.42
EGLN1 Q9GZT9 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
PRNP P04156 1/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL20673417 0.87 CYP2C9 (0.53) CYP1A2CYP2C9CYP2C19MAPTKDM4E
SCHEMBL13615359 0.85 CYP1A2 (0.67) CYP1A2CYP2C9CYP2C19MAPTKDM4E
SCHEMBL21981602 0.84 CYP1A2 (0.50) CYP1A2CYP2C9CYP2C19MAPTKDM4E
SCHEMBL4343263 0.82 BACE1 (0.52) CYP1A2CYP2C9CYP2C19MAPTKDM4E
SCHEMBL16060188 0.81 HTT (0.59) CYP1A2CYP2C9CYP2C19MAPTKDM4E
SCHEMBL16061971 0.80 ALDH1A1 (0.49) CYP1A2CYP2C9CYP2C19MAPTKDM4E
SCHEMBL16060814 0.78 MEN1 (0.50) RXFP1MAPTMEN1KMT2ADHODH
SCHEMBL20659684 0.78 KDM2B (0.47) CYP1A2CYP2C9CYP2C19MAPTKDM4E
SCHEMBL21713073 0.76 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19MAPTKDM4E
SCHEMBL14711206 0.73 CA1 (0.53) RXFP1KDM4EMEN1KMT2AGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11427552-B2 Heterocyclic compounds useful in the treatment of disease EPIGEN BIOSCIENCES, INC. (US) 2022-08-30 US disclosed
CN-105142635-B Heterocyclic compounds useful for the treatment of diseases 艾匹根生物技术有限公司 2021-07-27 CN disclosed
EP-2988743-B1 HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DISEASE EPIGEN BIOSCIENCES INC (US) 2020-12-09 EP disclosed
US-20200181099-A1 Heterocyclic Compounds Useful In The Treatment Of Disease EPIGEN BIOSCIENCES, INC. (US) 2020-06-11 US disclosed
US-10570103-B2 Heterocyclic compounds useful in the treatment of disease EPIGEN BIOSCIENCES, INC. (US) 2020-02-25 US disclosed
US-20190135767-A1 Heterocyclic Compounds Useful In The Treatment Of Disease EPIGEN BIOSCIENCES, INC. (US) 2019-05-09 US disclosed
US-20180297962-A1 Heterocyclic Compounds Useful In The Treatment of Disease EPIGEN BIOSCIENCES, INC. (US) 2018-10-18 US disclosed
US-10000459-B2 Heterocyclic compounds useful in the treatment of disease EPIGEN BIOSCIENCES, INC. (US) 2018-06-19 US disclosed
EP-2988743-A2 HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DISEASE Epigen Biosciences, Inc. (US) 2016-03-02 EP disclosed
US-20160024031-A1 HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DISEASE EPIGEN BIOSCIENCES, INC. (US) 2016-01-28 US disclosed
WO-2014145873-A2 HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DISEASE EPIGEN BIOSCIENCES, INC. (US) 2014-09-18 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 (7 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-20190135767-A1 Heterocyclic Compounds Useful In The Treatment Of Disease LPAR1, LPAR2, LPAR4 CYP1A2 3323/4885CYP2C9 3395/4885CYP2C19 3221/4885
US-20180297962-A1 Heterocyclic Compounds Useful In The Treatment of Disease LPAR1, LPAR4, LPAR2 CYP1A2 2807/4885CYP2C9 3136/4885CYP2C19 3151/4885
US-10000459-B2 Heterocyclic compounds useful in the treatment of disease LPAR1, LPAR4, LPAR3 CYP1A2 3208/4885CYP2C9 3245/4885CYP2C19 3193/4885
US-11427552-B2 Heterocyclic compounds useful in the treatment of disease LPAR1, LPAR4, LPAR3 CYP1A2 3208/4885CYP2C9 3245/4885CYP2C19 3193/4885
US-20160024031-A1 HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DISEASE LPAR1, LPAR4, LPAR3 CYP1A2 3305/4885CYP2C9 3235/4885CYP2C19 3229/4885
US-20200181099-A1 Heterocyclic Compounds Useful In The Treatment Of Disease LPAR1, LPAR4, LPAR3 CYP1A2 3208/4885CYP2C9 3245/4885CYP2C19 3193/4885
US-10570103-B2 Heterocyclic compounds useful in the treatment of disease LPAR1, LPAR2, LPAR4 CYP1A2 3323/4885CYP2C9 3395/4885CYP2C19 3221/4885

“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.