SCHEMBL21536493

SCHEMBL21536493

CCc1cccc2nn(C3COC3)cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
ALDH1A2 O94788 5/20 0.36
ALDH1A3 P47895 5/20 0.36
ELANE P08246 3/20 0.33
MPO P05164 1/20 0.33
KDM5A P29375 1/20 0.32
PTPN11 Q06124 1/20 0.32
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
CTSB P07858 1/20 0.31
TSHR P16473 2/20 0.31
IRAK4 Q9NWZ3 1/20 0.30
GABRA1 P14867 2/20 0.30
GABRB2 P47870 2/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
GLA P06280 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL29303864 0.85 ALDH1A2 (0.37) ALDH1A1ALDH1A2ALDH1A3ELANEMPO
SCHEMBL29303858 0.83 ALDH1A2 (0.36) ALDH1A1ALDH1A2ALDH1A3KDM5A
SCHEMBL29304924 0.81 ALDH1A1 (0.39) ALDH1A1ALDH1A2ALDH1A3MPOKDM5A
SCHEMBL29303422 0.78 HDAC8 (0.34) ALDH1A1ALDH1A2ALDH1A3MPOPTPN11
SCHEMBL21536089 0.77 ALDH1A2 (0.39) ALDH1A1ALDH1A2ALDH1A3ELANEMPO
SCHEMBL17680609 0.72 USP7 (0.41) ALDH1A1ELANEBRD4CREBBPGABRA1
SCHEMBL29303756 0.70 KDM5A (0.38) ALDH1A1ALDH1A2ALDH1A3MPOKDM5A
SCHEMBL29303239 0.68 KDM5A (0.38) ALDH1A1ALDH1A2ALDH1A3KDM5A
SCHEMBL29304475 0.68 CHRM1 (0.36) ALDH1A1ALDH1A2ALDH1A3KDM5A
SCHEMBL29304342 0.68 GABRA1 (0.34) ELANEMPOGABRA1GABRB2

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-10919885-B2 Compounds and uses thereof YUMANITY THERAPEUTICS, INC. (US) 2021-02-16 US disclosed
US-20190330198-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2019-10-31 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-10919885-B2 Compounds and uses thereof NLN, ACHE, CLN6 ALDH1A1 656/4885ALDH1A2 138/4885ALDH1A3 379/4885
US-20190330198-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 ALDH1A1 656/4885ALDH1A2 138/4885ALDH1A3 379/4885

“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.