SCHEMBL24311981

SCHEMBL24311981

COC(=O)C(=CNc1ccc(OC)c(Cl)c1)C(=O)OC

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.55
HPGD P15428 2/20 0.55
TP53 P04637 2/20 0.55
PKM P14618 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ALDH1A1 P00352 8/20 0.53
HTT P42858 2/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GLA P06280 1/20 0.50
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
POLB P06746 3/20 0.49
LMNA P02545 4/20 0.48
MAPT P10636 4/20 0.48
GRM4 Q14833 1/20 0.48
GAA P10253 3/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL2723490 0.88 ALDH1A1 (0.57) SMN1; SMN2HPGDTP53PKMNPSR1
SCHEMBL15053652 0.88 DHODH (0.60) SMN1; SMN2HPGDTP53PKMNPSR1
SCHEMBL20272240 0.80 KDM4E (0.45) SMN1; SMN2NPSR1ALDH1A1NPC1RAB9A
SCHEMBL11388963 0.78 SMN1; SMN2 (0.53) SMN1; SMN2HPGDTP53PKMNPSR1
SCHEMBL11388960 0.78 SMN1; SMN2 (0.53) SMN1; SMN2HPGDTP53PKMNPSR1
SCHEMBL4466531 0.78 SMN1; SMN2 (0.55) SMN1; SMN2HPGDTP53PKMNPSR1
SCHEMBL18987970 0.77 DHODH (0.60) HPGDNPSR1ALDH1A1MEN1KMT2A
SCHEMBL11388964 0.77 SMN1; SMN2 (0.55) SMN1; SMN2HPGDTP53PKMNPSR1
SCHEMBL7068073 0.74 ALDH1A1 (0.55) SMN1; SMN2HPGDTP53PKMNPSR1
SCHEMBL5295046 0.74 DHODH (0.65) HPGDPKMNPSR1ALDH1A1HTT

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-20220073470-A1 INHIBITORS OF CGAS ACTIVITY AS THERAPEUTIC AGENTS BELLBROOK LABS, LLC 2022-03-10 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-20220073470-A1 INHIBITORS OF CGAS ACTIVITY AS THERAPEUTIC AGENTS CGAS, STING1, IRF3 SMN1; SMN2 2305/4885HPGD 1996/4885TP53 20/4885

“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.