SCHEMBL890153

SCHEMBL890153

CC(=O)[C@H](Cc1ccncc1)NC=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ MMP2 P08253 1/20 0.39
▸ MMP9 P14780 1/20 0.39
▸ MMP8 P22894 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ EPHX1 P07099 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ SLC6A4 P31645 1/20 0.37
▸ NPY5R Q15761 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MAPK1 P28482 1/20 0.37

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
SCHEMBL19042806 0.83 MEN1 (0.59) ALDH1A1MEN1KMT2ATAAR1MMP2
SCHEMBL13827709 0.83 MEN1 (0.59) ALDH1A1MEN1KMT2ATAAR1MMP2
SCHEMBL12524788 0.82 ESR1 (0.51) MEN1KMT2ATAAR1SLC6A4
SCHEMBL13154997 0.82 FDPS (0.47) CYP3A4KMT2ACYP1A2CYP2C9LMNA
SCHEMBL12220090 0.81 TSHR (0.47) CYP3A4ALDH1A1TSHRMMP2MMP9
SCHEMBL15075356 0.81 TSHR (0.47) CYP3A4ALDH1A1TSHRMMP2MMP9
SCHEMBL14898389 0.81 TSHR (0.47) CYP3A4ALDH1A1TSHRMMP2MMP9
SCHEMBL12829849 0.81 SLC6A4 (0.41) CYP3A4ALDH1A1MEN1KMT2ATAAR1
SCHEMBL27270915 0.79 MME (0.50) MEN1KMT2ATAAR1MMP2MMP9
SCHEMBL6189185 0.79 ALDH1A1 (0.46) CYP3A4ALDH1A1TSHRMMP2MMP9

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-20110064698-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-03-17 — — 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-20110064698-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, EIF2AK2, SLC10A1 CYP3A4 241/4885ALDH1A1 354/4885TSHR 4674/4885

“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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