SCHEMBL29339596

SCHEMBL29339596

CC(=N)c1cc(C(C)(C)C)ccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
RECQL P46063 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 2/20 0.37
TYR P14679 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
ESR1 P03372 1/20 0.36
SMN1; SMN2 Q16637 2/20 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
SCHEMBL4516137 0.80 TDP1 (0.45) ALDH1A1TDP1HPGDALOX15HSD17B10
SCHEMBL10419228 0.76 TDP1 (0.57) ALDH1A1TDP1HPGDALOX15HSD17B10
SCHEMBL18310651 0.74 ALDH1A1 (0.41) ALDH1A1TDP1HPGDALOX15HSD17B10
SCHEMBL15828702 0.74 L3MBTL1 (0.44) ALDH1A1TDP1HPGDALOX15HSD17B10
SCHEMBL23011778 0.74 MEN1 (0.46) ALDH1A1TDP1HSD17B10MEN1KMT2A
SCHEMBL674323 0.74 ALDH1A1 (0.67) ALDH1A1TDP1HPGDALOX15HSD17B10
SCHEMBL2009857 0.73 TSHR (0.52) ALDH1A1TDP1HPGDALOX15HSD17B10
SCHEMBL29498849 0.73 TSHR (0.52) ALDH1A1TDP1HPGDALOX15HSD17B10
SCHEMBL22062250 0.72 MEN1 (0.42) TDP1MAPTMEN1KMT2AGAA
SCHEMBL13206086 0.72 KIF11 (0.48) ALDH1A1TDP1HPGDMAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 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-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 KLK5, KLK1, KLKB1 ALDH1A1 1532/4885TDP1 1477/4885HPGD 785/4885

“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.