SCHEMBL21598046

SCHEMBL21598046

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
MAPT P10636 4/20 0.49
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 5/20 0.43
HPGD P15428 3/20 0.43
GAA P10253 3/20 0.43
THRB P10828 2/20 0.42
DHODH Q02127 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 4/20 0.39
ABCB1 P08183 1/20 0.39
ABCC1 P33527 1/20 0.39
MEN1 O00255 2/20 0.39
MAPK1 P28482 1/20 0.38

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
SCHEMBL21606458 1.00 CYP1A2 (0.56) CYP1A2CYP2C19MAPTLMNASMN1; SMN2
SCHEMBL21606700 0.87 CYP1A2 (0.52) CYP1A2CYP2C19MAPTLMNASMN1; SMN2
SCHEMBL21598037 0.87 CYP1A2 (0.52) CYP1A2CYP2C19MAPTLMNASMN1; SMN2
SCHEMBL21598033 0.81 NPSR1 (0.48) MAPTLMNASMN1; SMN2NPC1RAB9A
SCHEMBL16935800 0.78 CYP1A2 (0.69) CYP1A2CYP2C19MAPTLMNASMN1; SMN2
SCHEMBL16935798 0.78 CYP1A2 (0.69) CYP1A2CYP2C19MAPTLMNASMN1; SMN2
SCHEMBL10719052 0.75 CYP1A2 (0.58) CYP1A2CYP2C19MAPTLMNASMN1; SMN2
SCHEMBL30504035 0.73 CYP1A2 (0.69) CYP1A2CYP2C19MAPTLMNASMN1; SMN2
SCHEMBL28314801 0.73 CYP1A2 (0.69) CYP1A2CYP2C19MAPTLMNASMN1; SMN2
SCHEMBL2229978 0.72 CYP1A2 (1.00) CYP1A2CYP2C19MAPTLMNASMN1; SMN2

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.