SCHEMBL12388161

SCHEMBL12388161

Cc1cc2[nH]cnc2cc1C(C)C

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
KDM4E B2RXH2 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 1/20 0.46
APEX1 P27695 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
MMP12 P39900 1/20 0.40
PRKCI P41743 1/20 0.39
RAD52 P43351 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
PDE2A O00408 1/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
QPCT Q16769 3/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL23742733 0.93 MAPT (0.46) MAPTKDM4ETDP1ALDH1A1APEX1
SCHEMBL22433010 0.86 MAPT (0.50) MAPTKDM4ETDP1ALDH1A1APEX1
SCHEMBL13373552 0.86 MAPT (0.43) MAPTKDM4ETDP1ALDH1A1APEX1
SCHEMBL13394511 0.80 MAPT (0.51) MAPTKDM4ETDP1ALDH1A1APEX1
SCHEMBL12110239 0.80 MAPT (0.56) MAPTKDM4ETDP1ALDH1A1APEX1
Dimedazol SCHEMBL312977 0.80 MAPT (0.56) MAPTKDM4ETDP1ALDH1A1APEX1
SCHEMBL24192686 0.77 PDE2A (0.42) MAPTKDM4ETDP1ALDH1A1APEX1
SCHEMBL12435219 0.76 MAPT (0.51) MAPTKDM4ETDP1ALDH1A1APEX1
SCHEMBL12110242 0.76 CDK1 (0.41) MAPTKDM4ETDP1ALDH1A1APEX1
Dimedazol SCHEMBL28394195 0.74 KDM4E (0.46) MAPTKDM4ETDP1ALDH1A1APEX1

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-2024044778-A2 NOVEL MODULATORS OF FSHR AND USES THEREOF CELMATIX INC. (US) 2024-02-29 WO disclosed
WO-2024044757-A1 AMINOPYRIMIDINE AND AMINOTRIAZINE DERIVATIVES AS MYC PROTEIN MODULATORS Sanford Burnham Prebys Medical Discovery Institute (US) 2024-02-29 WO disclosed
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY 2023-06-15 US disclosed
US-8901139-B2 Tricyclic indole derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2014-12-02 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-20110189127-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC 2011-08-04 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 (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-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 CHRM5, CHRM1, CHRM2 MAPT 2286/4885KDM4E 1188/4885TDP1 3063/4885
US-20110189127-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 MAPT 359/4885KDM4E 1597/4885TDP1 433/4885

“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.