SCHEMBL21707862

SCHEMBL21707862

CCCc1ncc(Cc2ccccc2)[nH]c1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.61
AOC3 Q16853 1/20 0.51
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
CYP2C9 P11712 1/20 0.44
HTT P42858 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PDE10A Q9Y233 1/20 0.42
BRS3 P32247 1/20 0.41
HTR2C P28335 1/20 0.41
DAO P14920 4/20 0.41
PARP1 P09874 1/20 0.40
PDE5A O76074 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL20204711 0.87 CAPN1 (0.63) CAPN1AOC3ALDH1A1HPGDCYP2C9
SCHEMBL20204662 0.84 CAPN1 (0.57) CAPN1AOC3ALDH1A1HPGDCYP2C9
SCHEMBL23886056 0.83 CAPN1 (0.55) CAPN1AOC3ALDH1A1HPGDCYP2C9
SCHEMBL21707859 0.82 CAPN1 (0.66) CAPN1AOC3ALDH1A1HPGDCYP2C9
SCHEMBL20204661 0.82 CAPN1 (0.55) CAPN1AOC3ALDH1A1HPGDCYP2C9
SCHEMBL20204597 0.79 CAPN1 (0.55) CAPN1AOC3ALDH1A1HPGDCYP2C9
SCHEMBL21333942 0.76 CAPN1 (1.00) CAPN1AOC3HTTBRS3DAO
SCHEMBL21707883 0.75 CAPN1 (0.77) CAPN1AOC3HTTGAABRS3
SCHEMBL21707863 0.74 CAPN1 (0.71) CAPN1AOC3ALDH1A1HPGDCYP2C9
SCHEMBL20204741 0.73 MEN1 (0.57) CAPN1AOC3ALDH1A1HPGDHTT

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-11124498-B2 Compositions and methods for modulating protease activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-09-21 US disclosed
US-20200048227-A1 COMPOSITIONS AND METHODS FOR MODULATING PROTEASE ACTIVITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-02-13 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-11124498-B2 Compositions and methods for modulating protease activity RNASE1, ADAM8, CTRL CAPN1 81/4885AOC3 3750/4885ALDH1A1 3631/4885
US-20200048227-A1 COMPOSITIONS AND METHODS FOR MODULATING PROTEASE ACTIVITY RNASE1, ADAM8, CTRL CAPN1 81/4885AOC3 3750/4885ALDH1A1 3631/4885

“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.