SCHEMBL21598047

SCHEMBL21598047

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
HTT P42858 2/20 0.43
PKM P14618 1/20 0.43
ALDH1A1 P00352 8/20 0.43
LPAR1 Q92633 1/20 0.43
ABCB1 P08183 1/20 0.43
ABCC1 P33527 1/20 0.43
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 2/20 0.39
GAA P10253 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
SCHEMBL21598039 0.87 KMT2A (0.36) KMT2AHTTALDH1A1LPAR1ABCB1
SCHEMBL21598035 0.81 HTT (0.47) KMT2AHTTALDH1A1LPAR1SMN1; SMN2
SCHEMBL21217705 0.76 HTT (0.72) KMT2AHTTALDH1A1LPAR1SMN1; SMN2
SCHEMBL31079121 0.74 LPAR1 (0.57) KMT2AHTTALDH1A1LPAR1LMNA
SCHEMBL2076016 0.74 LPAR1 (0.57) KMT2AHTTALDH1A1LPAR1LMNA
SCHEMBL5783658 0.71 HTT (0.59) KMT2AHTTALDH1A1LPAR1LMNA
SCHEMBL29475122 0.71 LPAR1 (0.57) KMT2AHTTPKMALDH1A1LPAR1
SCHEMBL3504431 0.71 LPAR1 (0.57) KMT2AHTTPKMALDH1A1LPAR1
SCHEMBL21326162 0.70 LMNA (0.46) KMT2AHTTALDH1A1LMNACYP1A2
SCHEMBL21326166 0.70 LMNA (0.46) KMT2AHTTALDH1A1LMNACYP1A2

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 767/4885HTT 2698/4885PKM 2282/4885
US-11345666-B2 Phenyl and pyridinyl substituted imidazoles as modulators of RORγT RORC, RORB, RORA KMT2A 1380/4885HTT 3084/4885PKM 1725/4885

“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.