SCHEMBL21175693

SCHEMBL21175693

C=CCc1c(I)ccc(Cl)c1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.35
GABRB2 P47870 3/20 0.35
XDH P47989 1/20 0.32
SRD5A1 P18405 1/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALDH2 P05091 1/20 0.32
GAA P10253 1/20 0.32
AKR1B1 P15121 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
DPP4 P27487 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL16685089 0.84 GABRA1 (0.39) GABRA1GABRB2XDHSRD5A1MEN1
SCHEMBL20096334 0.84 GABRA1 (0.39) GABRA1GABRB2XDHSRD5A1MEN1
SCHEMBL18191222 0.78 GABRA1 (0.35) GABRA1GABRB2XDHSRD5A1MEN1
SCHEMBL21175883 0.78 GABRA1 (0.35) GABRA1GABRB2XDHSRD5A1MEN1
SCHEMBL10157945 0.78 SIRT1 (0.36) GABRA1GABRB2XDHSRD5A1MEN1
SCHEMBL15758760 0.78 GABRA1 (0.35) GABRA1GABRB2XDHSRD5A1MEN1
SCHEMBL4218723 0.75 HTR3E (0.36) GABRA1GABRB2XDHSRD5A1MEN1
SCHEMBL21175921 0.74 CYP1A2 (0.32) MEN1MAPTHPGDKMT2AKDM4E
SCHEMBL25859920 0.73 ALDH1A1 (0.39) GABRA1GABRB2MEN1MAPTHPGD
SCHEMBL2454840 0.71 SRD5A1 (0.45) GABRA1GABRB2XDHSRD5A1MEN1

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-11058678-B2 Substituted heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2021-07-13 US disclosed
WO-2019143902-A2 SUBSTITUTED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2019-07-25 WO disclosed
US-20190224188-A1 SUBSTITUTED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2019-07-25 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-20190224188-A1 SUBSTITUTED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HDGF, HAVCR2 GABRA1 3506/4885GABRB2 3005/4885XDH 556/4885
US-11058678-B2 Substituted heterocycles as antiviral agents HCCS, HDGF, HAVCR2 GABRA1 3506/4885GABRB2 3005/4885XDH 556/4885

“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.