SCHEMBL19788770

SCHEMBL19788770

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.39
▸ MAPT P10636 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ HTT P42858 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ MAPK14 Q16539 3/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ ATAD2 Q6PL18 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ ATM Q13315 2/20 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
SCHEMBL19788828 0.90 KDM4E (0.36) MAPTKDM4EHTTMAPK14ALDH1A1
SCHEMBL19788894 0.89 SMN1; SMN2 (0.36) MAPTKDM4EHTTMAPK14ALDH1A1
SCHEMBL19788771 0.87 ALDH1A1 (0.34) MAPTKDM4EHTTMAPK14ALDH1A1
SCHEMBL19788831 0.87 HTT (0.40) MAPTKDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL20079064 0.86 ALDH1A1 (0.41) MAPTKDM4EHTTHSD17B10CASP1
SCHEMBL19788833 0.85 MAPK14 (0.35) MAPTKDM4EHTTHSD17B10MAPK14
SCHEMBL19788778 0.85 CDK8 (0.36) MAPTKDM4EHTTHSD17B10MAPK14
SCHEMBL19788826 0.84 KDM4E (0.41) MAPTKDM4EHTTALDH1A1SMN1; SMN2
SCHEMBL19788892 0.84 HPGD (0.44) KDM4EHSD17B10ALDH1A1NPC1HPGD
SCHEMBL22885167 0.84 MAPT (0.33) MAPTKDM4EHSD17B10MAPK14ALDH1A1

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-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 (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-20210009555-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 CYP3A4 384/4885MAPT 1547/4885KDM4E 4453/4885

“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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