SCHEMBL21598035

SCHEMBL21598035

CCC(Nc1ccc(Br)cc1OC)=C(N)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.47
LPAR1 Q92633 1/20 0.46
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.40

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 0.81 KMT2A (0.44) HTTLPAR1ALDH1A1KMT2AMAPT
SCHEMBL21217705 0.79 HTT (0.72) HTTLPAR1ALDH1A1RXFP1KMT2A
SCHEMBL2076016 0.77 LPAR1 (0.57) HTTLPAR1ALDH1A1KDM4ERXFP1
SCHEMBL31079121 0.77 LPAR1 (0.57) HTTLPAR1ALDH1A1KDM4ERXFP1
SCHEMBL3504431 0.74 LPAR1 (0.57) HTTLPAR1ALDH1A1KMT2AMEN1
SCHEMBL29475122 0.74 LPAR1 (0.57) HTTLPAR1ALDH1A1KMT2AMEN1
SCHEMBL21598025 0.74 HTT (0.48) HTTLPAR1ALDH1A1RXFP1KMT2A
SCHEMBL19643985 0.74 LPAR1 (0.60) LPAR1ALDH1A1KDM4ERXFP1KMT2A
SCHEMBL526203 0.73 LPAR1 (0.49) HTTLPAR1ALDH1A1RXFP1KMT2A
SCHEMBL4193257 0.72 ALDH1A1 (0.55) HTTLPAR1ALDH1A1KDM4ERXFP1

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 HTT 2698/4885LPAR1 740/4885ALDH1A1 296/4885
US-11345666-B2 Phenyl and pyridinyl substituted imidazoles as modulators of RORγT RORC, RORB, RORA HTT 3084/4885LPAR1 609/4885ALDH1A1 421/4885

“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.