SCHEMBL19788774

SCHEMBL19788774

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 2/20 0.38
▸ CASP7 P55210 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ MAPK14 Q16539 3/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ RECQL P46063 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ CNR2 P34972 1/20 0.32
▸ MAPK13 O15264 1/20 0.32

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
SCHEMBL19788893 0.92 MAPK14 (0.34) CASP1CASP7HSD17B10SMN1; SMN2MAPT
SCHEMBL24997738 0.92 MAPK14 (0.34) CASP1CASP7HSD17B10SMN1; SMN2MAPT
SCHEMBL19788776 0.89 MAPK14 (0.34) SMN1; SMN2MAPTKDM4EMAPK14LMNA
SCHEMBL20079064 0.86 ALDH1A1 (0.41) CASP1CASP7HSD17B10SMN1; SMN2MAPT
SCHEMBL19788778 0.85 CDK8 (0.36) HSD17B10SMN1; SMN2MAPTKDM4EMAPK14
SCHEMBL19788827 0.84 CNR2 (0.35) SMN1; SMN2MAPTKDM4EMAPK14LMNA
SCHEMBL22885167 0.84 MAPT (0.33) HSD17B10SMN1; SMN2MAPTKDM4EMAPK14
SCHEMBL16006510 0.84 KDM4E (0.45) CASP1CASP7HSD17B10SMN1; SMN2MAPT
SCHEMBL19788775 0.83 MAPT (0.43) SMN1; SMN2MAPTMAPK14LMNAGAA
SCHEMBL19788828 0.83 KDM4E (0.36) SMN1; SMN2MAPTKDM4EMAPK14LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230312567-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-10-05 — — US disclosed
US-11680064-B2 Capsid inhibitors for the treatment of HIV GILEAD SCIENCES, INC. (US) 2023-06-20 — — US disclosed
US-20210009555-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2021-01-14 — — US disclosed
US-9951043-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2018-04-24 — — US disclosed
US-9873680-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2018-01-23 — — 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 (3 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-20230312567-A1 CAPSID INHIBITORS FOR THE TREATMENT OF HIV HAVCR2, MAVS, CD4 CASP1 524/4885CASP7 239/4885HSD17B10 2733/4885
US-20210009555-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 CASP1 1229/4885CASP7 1150/4885HSD17B10 967/4885
US-11680064-B2 Capsid inhibitors for the treatment of HIV HAVCR2, MAVS, CD4 CASP1 524/4885CASP7 239/4885HSD17B10 2733/4885

“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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