SCHEMBL19224992

SCHEMBL19224992

Nc1ccc2c(c1)Nc1ccccc1CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 1.00
MEN1 O00255 3/20 1.00
KMT2A Q03164 3/20 1.00
KDM4E B2RXH2 3/20 1.00
GAA P10253 1/20 1.00
CA9 Q16790 1/20 0.62
NPC1 O15118 3/20 0.50
MAPK13 O15264 1/20 0.50
MAPK12 P53778 1/20 0.50
MAPK11 Q15759 1/20 0.50
MAPK14 Q16539 1/20 0.50
SIRT2 Q8IXJ6 2/20 0.47
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTR5A P47898 2/20 0.43
GFER P55789 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL407439 0.81 NPC1 (0.70) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL23876098 0.79 MEN1 (0.64) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL28378777 0.77 MAPT (0.62) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL5383879 0.77 MAPT (0.62) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL30105853 0.77 MAPT (0.62) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL29485904 0.77 MAPT (0.62) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL6969939 0.77 MAPT (0.62) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL6964275 0.77 MAPT (0.62) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL521524 0.77 CA9 (1.00) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL29485939 0.77 MAPT (0.62) MAPTMEN1KMT2AKDM4EGAA

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
WO-2023205344-A1 SMALL MOLECULE MODULATORS OF HUMAN PREGNANE X RECEPTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2023-10-26 WO disclosed
WO-2023205344-A1 SMALL MOLECULE MODULATORS OF HUMAN PREGNANE X RECEPTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2023-10-26 WO disclosed
US-9908890-B2 Selective inhibitors of constitutive androstane receptor ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2018-03-06 US disclosed
US-9908890-B2 Selective inhibitors of constitutive androstane receptor ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2018-03-06 US disclosed
US-20170226115-A1 SELECTIVE INHIBITORS OF CONSTITUTIVE ANDROSTANE RECEPTOR NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-08-10 US disclosed
US-20170226115-A1 SELECTIVE INHIBITORS OF CONSTITUTIVE ANDROSTANE RECEPTOR NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-08-10 US 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-20170226115-A1 SELECTIVE INHIBITORS OF CONSTITUTIVE ANDROSTANE RECEPTOR NR1I2, NR1I3, AR MAPT 2875/4885MEN1 4383/4885KMT2A 3595/4885

“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.