SCHEMBL17697579

SCHEMBL17697579

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.41
▸ KDM4E B2RXH2 5/20 0.40
▸ MAPT P10636 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ LMNA P02545 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ CCR6 P51684 1/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ NPC1 O15118 1/20 0.38

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
SCHEMBL17621602 0.90 SMN1; SMN2 (0.37) CYP3A4KDM4EMAPTHTTHSD17B10
SCHEMBL17621574 0.88 ALDH1A1 (0.36) KDM4EMAPTHTTALDH1A1LMNA
SCHEMBL16158005 0.87 KDM4E (0.45) CYP3A4KDM4EMAPTHTTHSD17B10
SCHEMBL17697582 0.87 NR3C2 (0.34) CYP3A4KDM4EMAPTHTTALDH1A1
SCHEMBL17697553 0.86 CASP1 (0.40) KDM4EMAPTHSD17B10CASP1CASP7
SCHEMBL20430360 0.86 CYP3A4 (0.40) CYP3A4KDM4EMAPTHTTHSD17B10
SCHEMBL16158000 0.84 KMT2A (0.43) KDM4EMAPTHTTALDH1A1LMNA
SCHEMBL17621512 0.84 CASP1 (0.34) CYP3A4KDM4EMAPTHTTHSD17B10
SCHEMBL19788770 0.84 CYP3A4 (0.39) CYP3A4KDM4EMAPTHTTHSD17B10
SCHEMBL25639161 0.84 CYP3A4 (0.39) CYP3A4KDM4EMAPTHTTHSD17B10

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-20160108030-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-04-21 — — 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-20160108030-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 CYP3A4 384/4885KDM4E 4453/4885MAPT 1547/4885

“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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