SCHEMBL18055779

SCHEMBL18055779

CC(C)(C)OC(=O)NC(C)(C)C(=O)Nc1cnccc1N

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 2/20 0.39
▸ CYP17A1 P05093 3/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ LATS1 O95835 1/20 0.38
▸ AAK1 Q2M2I8 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ ATR Q13535 1/20 0.35
▸ WDR5 P61964 1/20 0.35
▸ BRS3 P32247 1/20 0.35

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
SCHEMBL28390904 0.86 NAMPT (0.47) NAMPTCYP17A1RAB9AAAK1KDM4E
SCHEMBL18038575 0.84 KDM4C (0.39) AAK1KDM4EALDH1A1GLAGAA
SCHEMBL38664167 0.81 HDAC1 (0.47) RAB9A
SCHEMBL4075291 0.79 NAMPT (0.42) NAMPTCYP17A1RAB9ALATS1AAK1
SCHEMBL5746021 0.75 NAMPT (0.47) NAMPTCYP17A1RAB9AAAK1KDM4E
SCHEMBL15432248 0.74 KDM4E (0.51) KDM4EALDH1A1GLAGAA
SCHEMBL18522430 0.73 NAMPT (0.50) NAMPTCYP17A1RAB9ALATS1ATR
SCHEMBL15986887 0.73 PTGS1 (0.44) NAMPTRAB9AAAK1ATR
SCHEMBL7484295 0.73 NAMPT (0.43) NAMPTCYP17A1RAB9AAAK1KDM4E
SCHEMBL23155544 0.71 NAMPT (0.46) NAMPTCYP17A1RAB9AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180022723-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2018-01-25 — — US disclosed
WO-2016137832-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-01 — — 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-20180022723-A1 NOVEL COMPOUNDS FOR THE TREATMENT OF HEPATITIS C HAVCR2, HCCS, SLC10A1 NAMPT 2277/4885CYP17A1 1160/4885RAB9A 1570/4885

“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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