SCHEMBL6166915

SCHEMBL6166915

O=C(Nc1ccc2[nH]ccc2c1)c1cc(F)cc(N2CCOCC2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
BRAF P15056 2/20 0.56
RAF1 P04049 1/20 0.53
MAPK14 Q16539 9/20 0.53
MAPT P10636 2/20 0.52
ESR1 P03372 1/20 0.50
MAPK13 O15264 1/20 0.49
MAPK12 P53778 1/20 0.49
MAPK11 Q15759 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
NFKB1 P19838 1/20 0.48
HTT P42858 1/20 0.48
NFKB2 Q00653 1/20 0.48
KMT2A Q03164 1/20 0.48
RELA Q04206 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL6165669 0.93 ESR1 (0.60) NPC1RAB9ABRAFRAF1MAPK14
SCHEMBL1663772 0.79 HDAC8 (0.59) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL4831633 0.79 BRAF (0.56) NPC1RAB9ABRAFRAF1MAPK14
SCHEMBL2343443 0.79 MAPT (0.56) NPC1RAB9AMAPK14MAPTSMN1; SMN2
SCHEMBL6167521 0.78 MAPK13 (0.60) NPC1RAB9ABRAFRAF1MAPK14
SCHEMBL1663768 0.78 HDAC8 (0.54) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL5896970 0.77 MAPK14 (0.59) NPC1RAB9ABRAFRAF1MAPK14
SCHEMBL4827472 0.77 RAF1 (0.64) NPC1RAB9ABRAFRAF1MAPK14
SCHEMBL6168619 0.77 MAPK14 (0.65) BRAFRAF1MAPK14MAPTMAPK13
SCHEMBL12764328 0.77 BRAF (0.59) NPC1RAB9ABRAFRAF1MAPK14

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed
US-20050124620-A1 Indole derivatives having an acidic moiety that inhibit or modulate activity of p38 map kinase mediating a disease state; e.g., 3-(2-(4-pyridyl)ethyl)-5-(3-trifluoromethoxybenzamido)indole; enzyme inhibitors; antiarthritic, -inflammatory, and -carcinogenic agents; respiratory disorders; AIDS; Alzheimer's FREDERICKSON MARTYN (GB) 2005-06-09 US disclosed
EP-1495016-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS MODULATORS OF P38 MAP KINASE Astex Technology Limited (GB) 2005-01-12 EP disclosed
WO-2003087087-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE AS MODULATORS OF P38 MAP KINASE ASTEX TECHNOLOGY LIMITED (GB) 2003-10-23 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 (1 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-20050124620-A1 Indole derivatives having an acidic moiety that inhibit or modulate activity of p38 map kinase mediating a disease state; e.g., 3-(2-(4-pyridyl)ethyl)-5-(3-trifluoromethoxybenzamido)indole; enzyme inhibitors; antiarthritic, -inflammatory, and -carcinogenic agents; respiratory disorders; AIDS; Alzheimer's MAPK1, IDO1, INMT NPC1 4366/4885RAB9A 2319/4885BRAF 162/4885

“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.