SCHEMBL15315410

SCHEMBL15315410

CCN(CC)c1ccc(/C=N/NC(=O)c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 4/20 1.00
MAPT P10636 12/20 0.79
ALDH1A1 P00352 9/20 0.79
KMT2A Q03164 7/20 0.79
KDM4E B2RXH2 7/20 0.79
MEN1 O00255 6/20 0.79
HPGD P15428 3/20 0.79
TP53 P04637 1/20 0.79
CYP3A4 P08684 1/20 0.79
ALOX15 P16050 1/20 0.79
TSHR P16473 1/20 0.79
CASP1 P29466 1/20 0.79
HSD17B10 Q99714 1/20 0.79
HDAC6 Q9UBN7 1/20 0.79
NPC1 O15118 5/20 0.73
RAB9A P51151 5/20 0.73
SMN1; SMN2 Q16637 4/20 0.73
PKM P14618 1/20 0.73
GAA P10253 4/20 0.70
LMNA P02545 2/20 0.70

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
SCHEMBL1129782 0.88 MAPT (1.00) ESRRGMAPTALDH1A1KMT2AKDM4E
SCHEMBL1131313 0.88 MAPT (1.00) ESRRGMAPTALDH1A1KMT2AKDM4E
SCHEMBL1131315 0.88 MAPT (1.00) ESRRGMAPTALDH1A1KMT2AKDM4E
SCHEMBL15315413 0.87 MAPT (0.79) ESRRGMAPTALDH1A1KMT2AKDM4E
SCHEMBL12443591 0.87 ESRRG (0.77) ESRRGMAPTALDH1A1KMT2AKDM4E
SCHEMBL15423064 0.86 RAB9A (0.76) ESRRGMAPTALDH1A1KMT2AKDM4E
SCHEMBL15315409 0.86 MAPT (0.77) ESRRGMAPTALDH1A1KMT2AKDM4E
SCHEMBL8771803 0.85 ESRRG (0.74) ESRRGMAPTALDH1A1KMT2AKDM4E
SCHEMBL2536737 0.85 MAPT (0.76) ESRRGMAPTALDH1A1KMT2AKDM4E
SCHEMBL8243886 0.85 MAPT (0.76) ESRRGMAPTALDH1A1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130274233-A1 MODULATORS OF HEDGEHOG SIGNALING PATHWAY PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2013-10-17 US disclosed
US-20130274233-A1 MODULATORS OF HEDGEHOG SIGNALING PATHWAY PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2013-10-17 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-20130274233-A1 MODULATORS OF HEDGEHOG SIGNALING PATHWAY GLI1, SMO, SHH ESRRG 545/4885MAPT 2947/4885ALDH1A1 3537/4885

“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.