SCHEMBL4883922

SCHEMBL4883922

C[C@@H]1C[C@H](C)CN(C(=O)N(C(=O)CNC(=O)c2cccnc2)c2ccc(C(C)(C)C)cc2)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.50
MAPT P10636 5/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 1/20 0.44
THRB P10828 3/20 0.41
DPP4 P27487 1/20 0.40
PREP P48147 1/20 0.40
FAP Q12884 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
KMT2A Q03164 2/20 0.40
NAMPT P43490 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GFER P55789 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
SCHEMBL4893181 0.90 THRB (0.43) MAPTALDH1A1LMNAHTTTHRB
SCHEMBL4894897 0.90 KMT2A (0.44) RAB9AALDH1A1LMNAHTTTHRB
SCHEMBL4882730 0.89 THRB (0.42) RAB9AMAPTALDH1A1THRBDPP4
SCHEMBL4886348 0.88 KMT2A (0.48) RAB9AALDH1A1THRBKMT2ANAMPT
SCHEMBL4892456 0.83 THRB (0.38) RAB9AMAPTALDH1A1THRBDPP4
SCHEMBL4896093 0.79 KMT2A (0.46) ALDH1A1KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL4895131 0.79 THRB (0.41) MAPTLMNATHRBDPP4PREP
SCHEMBL4883919 0.75 RAB9A (0.46) RAB9AMAPTALDH1A1LMNAHTT
SCHEMBL4892547 0.75 ALDH1A1 (0.40) ALDH1A1LMNAKMT2AMEN1GAA
SCHEMBL4894885 0.69 KMT2A (0.46) ALDH1A1HTTTHRBDPP4PREP

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-20080200512-A1 Hepatitis C virus polymerase inhibitors BLANEY JEFFREY MARK 2008-08-21 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-20080200512-A1 Hepatitis C virus polymerase inhibitors SSU72, POLR2H, POLR2E RAB9A 2778/4885MAPT 3976/4885ALDH1A1 276/4885

“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.