SCHEMBL16006436

SCHEMBL16006436

COC(=O)Nc1nn(C)c2c(C)ccc(Cl)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGPAT2 O15120 4/20 0.37
▸ ALDH1A1 P00352 6/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ MAPT P10636 4/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ PKM P14618 1/20 0.36
▸ GAA P10253 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPK14 Q16539 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ GALR3 O60755 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TYK2 P29597 1/20 0.33

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
SCHEMBL16006821 0.86 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KDM4EHTTMAPT
SCHEMBL16158002 0.85 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2KDM4EHTTMAPT
SCHEMBL16157870 0.85 HPGD (0.49) ALDH1A1SMN1; SMN2KDM4EHTTMAPT
SCHEMBL20078890 0.83 MAPT (0.33) AGPAT2ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL22885167 0.83 MAPT (0.33) AGPAT2ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL16157860 0.83 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2KDM4EHTTMAPT
SCHEMBL16006510 0.83 KDM4E (0.45) ALDH1A1SMN1; SMN2KDM4EHTTMAPT
SCHEMBL16006422 0.83 ALDH1A1 (0.43) AGPAT2ALDH1A1SMN1; SMN2KDM4EHTT
SCHEMBL16158005 0.83 KDM4E (0.45) ALDH1A1SMN1; SMN2KDM4EHTTMAPT
SCHEMBL16006603 0.82 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2KDM4EHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021262990-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2021-12-30 — — WO disclosed
EP-3409667-B1 AMIDE COMPOUNDS FOR THE TREATMENT OF HIV INFECTIONS GILEAD SCIENCES INC (US) 2021-07-21 — — EP disclosed
EP-2961742-B1 AMIDE COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2018-08-01 — — EP disclosed
WO-2016033243-A9 ANTIRETROVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2016-05-19 — — WO disclosed
US-20160108030-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-04-21 — — US disclosed
US-20140303164-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2014-10-09 — — US disclosed
WO-2014134566-A2 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-09-04 — — 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-20160108030-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 AGPAT2 2022/4885ALDH1A1 351/4885SMN1; SMN2 633/4885
US-20140303164-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, G6PD AGPAT2 1914/4885ALDH1A1 372/4885SMN1; SMN2 532/4885

“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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