SCHEMBL21618352

SCHEMBL21618352

[CH2]C12CCC(NC(=O)COc3ccc(Cl)cc3)(C1)C2

nearest known ligand 0.80

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ATF4 P18848 11/20 0.80
▸ NPC1 O15118 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.47
▸ KCNH2 Q12809 1/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ SENP2 Q9HC62 1/20 0.46
▸ SENP1 Q9P0U3 1/20 0.46

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
SCHEMBL21618322 0.92 ATF4 (0.83) ATF4NPC1TSHRRAB9ANPSR1
SCHEMBL19569281 0.92 ATF4 (0.94) ATF4NPC1TSHRRAB9ANPSR1
SCHEMBL19569398 0.89 ATF4 (1.00) ATF4NPC1TSHRRAB9ANPSR1
SCHEMBL22656718 0.89 ATF4 (1.00) ATF4NPC1TSHRRAB9ANPSR1
SCHEMBL19569505 0.86 ATF4 (0.84) ATF4NPC1TSHRRAB9ANPSR1
SCHEMBL20974142 0.86 ATF4 (1.00) ATF4NPC1TSHRRAB9ANPSR1
SCHEMBL20582519 0.85 ATF4 (0.78) ATF4NPC1TSHRRAB9ANPSR1
SCHEMBL21618350 0.83 ATF4 (0.64) ATF4
SCHEMBL22614436 0.82 ATF4 (0.86) ATF4NPC1TSHRRAB9ANPSR1
SCHEMBL19569423 0.82 ATF4 (0.86) ATF4NPC1TSHRRAB9AKCNH2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210253528-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-08-19 — — US claimed
EP-3820843-A1 CHEMICAL COMPOUNDS GlaxoSmithKline Intellectual Property Development Limited (GB) 2021-05-19 — — EP claimed
WO-2020012339-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-01-16 — — WO claimed
US-20210253528-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-08-19 — — US disclosed
EP-3820843-A1 CHEMICAL COMPOUNDS GlaxoSmithKline Intellectual Property Development Limited (GB) 2021-05-19 — — EP disclosed
WO-2020012339-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-01-16 — — 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 (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-20210253528-A1 CHEMICAL COMPOUNDS ATF4, EIF2AK4, ATF1 ATF4 1/4885NPC1 62/4885TSHR 2906/4885

“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.

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