SCHEMBL20204597

SCHEMBL20204597

O=c1[nH]c(Cc2ccccc2)cnc1Cc1ccc(O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.55
AOC3 Q16853 1/20 0.49
PARP1 P09874 4/20 0.47
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
CYP2C9 P11712 1/20 0.46
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
DAO P14920 2/20 0.43
BRS3 P32247 1/20 0.43
AR P10275 1/20 0.40
ABCB1 P08183 1/20 0.40
HTR2C P28335 1/20 0.39
KDM6B O15054 1/20 0.39
KDM4A O75164 1/20 0.39
KDM4D Q6B0I6 1/20 0.39
KDM3B Q7LBC6 1/20 0.39
HIF1AN Q9NWT6 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 0.91 CAPN1 (0.63) CAPN1AOC3PARP1ALDH1A1HPGD
SCHEMBL23886056 0.81 CAPN1 (0.55) CAPN1AOC3PARP1ALDH1A1HPGD
SCHEMBL20204670 0.81 CAPN1 (0.49) CAPN1GPR84
SCHEMBL21707862 0.79 CAPN1 (0.61) CAPN1AOC3PARP1ALDH1A1HPGD
SCHEMBL21707859 0.77 CAPN1 (0.66) CAPN1AOC3PARP1ALDH1A1HPGD
SCHEMBL20204661 0.77 CAPN1 (0.55) CAPN1AOC3PARP1ALDH1A1HPGD
SCHEMBL20204662 0.76 CAPN1 (0.57) CAPN1AOC3PARP1ALDH1A1HPGD
SCHEMBL21707884 0.74 CAPN1 (0.74) CAPN1AOC3ALDH1A1DAOBRS3
SCHEMBL20204741 0.74 MEN1 (0.57) CAPN1AOC3ALDH1A1HPGDKDM4E
SCHEMBL20204872 0.74 MEN1 (0.57) CAPN1ALDH1A1HPGDKDM4EGAA

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 3 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
WO-2018097999-A1 COMPOSITIONS AND METHODS FOR MODULATING PROTEASE ACTIVITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-05-31 WO 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 3750/4885PARP1 437/4885
US-20200048227-A1 COMPOSITIONS AND METHODS FOR MODULATING PROTEASE ACTIVITY RNASE1, ADAM8, CTRL CAPN1 81/4885AOC3 3750/4885PARP1 437/4885

“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.