SCHEMBL21598037

SCHEMBL21598037

CCOC(=O)C(=CNc1ccc(Br)cc1OC(F)F)[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
MAPT P10636 6/20 0.41
LMNA P02545 6/20 0.41
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
FBP1 P09467 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
MAPK1 P28482 3/20 0.37
GAA P10253 2/20 0.37
DHODH Q02127 1/20 0.37
THRB P10828 1/20 0.37
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
NPSR1 Q6W5P4 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HTT P42858 1/20 0.35
S1PR4 O95977 1/20 0.34

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
SCHEMBL21606700 1.00 CYP1A2 (0.52) CYP1A2CYP2C19MAPTLMNAKDM4E
SCHEMBL21606458 0.87 CYP1A2 (0.56) CYP1A2CYP2C19MAPTLMNAKDM4E
SCHEMBL21598046 0.87 CYP1A2 (0.56) CYP1A2CYP2C19MAPTLMNAKDM4E
SCHEMBL21606576 0.82 CYP1A2 (0.47) CYP1A2CYP2C19MAPTLMNAKDM4E
SCHEMBL21598007 0.82 CYP1A2 (0.47) CYP1A2CYP2C19MAPTLMNAKDM4E
SCHEMBL16935798 0.74 CYP1A2 (0.69) CYP1A2CYP2C19MAPTLMNAKDM4E
SCHEMBL16935800 0.74 CYP1A2 (0.69) CYP1A2CYP2C19MAPTLMNAKDM4E
SCHEMBL10719052 0.72 CYP1A2 (0.58) CYP1A2CYP2C19MAPTLMNAKDM4E
SCHEMBL21598381 0.71 ALDH1A1 (0.46) MAPTLMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL21598039 0.71 KMT2A (0.36) MAPTLMNAALDH1A1SMN1; SMN2MAPK1

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
US-20220281823-A1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORgT JANSSEN PHARMACEUTICA NV (BE) 2022-09-08 US disclosed
EP-3807251-B1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2022-09-07 EP disclosed
US-11345666-B2 Phenyl and pyridinyl substituted imidazoles as modulators of RORγT JANSSEN PHARMACEUTICA NV (BE) 2022-05-31 US disclosed
EP-3807251-A1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORYT Janssen Pharmaceutica NV (BE) 2021-04-21 EP disclosed
WO-2019244000-A1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORYT JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 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-20220281823-A1 PHENYL AND PYRIDINYL SUBSTITUTED IMIDAZOLES AS MODULATORS OF RORgT RORC, RORB, RORA CYP1A2 206/4885CYP2C19 1283/4885MAPT 334/4885
US-11345666-B2 Phenyl and pyridinyl substituted imidazoles as modulators of RORγT RORC, RORB, RORA CYP1A2 163/4885CYP2C19 1110/4885MAPT 637/4885

“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.