SCHEMBL21598039

SCHEMBL21598039

CCC(Nc1ccc(Br)cc1OC(F)F)=C(C(=O)O)[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.36
MEN1 O00255 8/20 0.36
LMNA P02545 4/20 0.36
MAPT P10636 4/20 0.36
HTT P42858 2/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
GAA P10253 3/20 0.35
RAB9A P51151 3/20 0.35
XBP1 P17861 1/20 0.35
CCR6 P51684 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 1/20 0.34
POLB P06746 2/20 0.34
LPAR1 Q92633 1/20 0.34
ABCB1 P08183 1/20 0.34
ABCC1 P33527 1/20 0.34
FPR2 P25090 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL21598047 0.87 KMT2A (0.44) KMT2ALMNAMAPTHTTSMN1; SMN2
SCHEMBL21598008 0.81 GAA (0.32) KMT2AMEN1LMNAMAPTHTT
SCHEMBL21598057 0.78 HTT (0.50) KMT2AMEN1LMNAMAPTHTT
SCHEMBL21598041 0.73 SMN1; SMN2 (0.38) KMT2AMEN1LMNAMAPTMAPK1
SCHEMBL21606700 0.71 CYP1A2 (0.52) KMT2AMEN1LMNAMAPTHTT
SCHEMBL21598037 0.71 CYP1A2 (0.52) KMT2AMEN1LMNAMAPTHTT
SCHEMBL21598035 0.68 HTT (0.47) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL21326162 0.67 LMNA (0.46) KMT2AMEN1LMNAMAPTHTT
SCHEMBL21326166 0.67 LMNA (0.46) KMT2AMEN1LMNAMAPTHTT
SCHEMBL2229985 0.67 MAPT (0.45) KMT2AMEN1LMNAMAPTHTT

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 KMT2A 767/4885MEN1 4457/4885LMNA 4108/4885
US-11345666-B2 Phenyl and pyridinyl substituted imidazoles as modulators of RORγT RORC, RORB, RORA KMT2A 1380/4885MEN1 4356/4885LMNA 3911/4885

“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.