SCHEMBL4894897

SCHEMBL4894897

C[C@@H]1C[C@H](C)CN(C(=O)N(C(=O)CNC(=O)c2cccnc2)c2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
NPC1 O15118 3/20 0.44
MEN1 O00255 3/20 0.44
THRB P10828 1/20 0.44
EPHX2 P34913 3/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.41
DPP4 P27487 1/20 0.41
PREP P48147 1/20 0.41
FAP Q12884 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
NAMPT P43490 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40

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 0.92 THRB (0.43) KMT2ANPC1MEN1THRBCYP2C19
SCHEMBL4882730 0.92 THRB (0.42) KMT2ANPC1MEN1THRBRAB9A
SCHEMBL4883922 0.90 RAB9A (0.50) KMT2ANPC1MEN1THRBRAB9A
SCHEMBL4886348 0.90 KMT2A (0.48) KMT2AMEN1THRBRAB9ASMN1; SMN2
SCHEMBL4892456 0.85 THRB (0.38) KMT2ANPC1MEN1THRBRAB9A
SCHEMBL4892997 0.83 KMT2A (0.46) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL4896093 0.83 KMT2A (0.46) KMT2AMEN1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL4895131 0.79 THRB (0.41) KMT2ATHRBEPHX2CYP2C9CYP2C19
SCHEMBL4887013 0.76 KMT2A (0.40) KMT2AMEN1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL4892547 0.76 ALDH1A1 (0.40) KMT2AMEN1CYP2C19SMN1; SMN2LMNA

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 KMT2A 2650/4885NPC1 1880/4885MEN1 3917/4885

“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.