SCHEMBL1260182

SCHEMBL1260182

C=CCn1c(O[C@@H]2C[C@@H](C(=O)O)N(C)C2)nc2ccccc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
ALDH1A1 P00352 9/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 1/20 0.40
LMNA P02545 1/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
MAPT P10636 3/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 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
SCHEMBL4246824 0.89 ALDH1A1 (0.44) TDP1RXFP1ALDH1A1KMT2AMEN1
SCHEMBL1073524 0.80 RXFP1 (0.44) TDP1RXFP1ALDH1A1KMT2AMEN1
SCHEMBL8012771 0.79 P2RX3 (0.45) TDP1RXFP1ALDH1A1KMT2AMEN1
SCHEMBL15093160 0.77 SMN1; SMN2 (0.40) RXFP1ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL1260179 0.77 MEN1 (0.43) TDP1RXFP1ALDH1A1KMT2AMEN1
SCHEMBL1260139 0.76 KAT2B (0.34) ALDH1A1CYP1A2HPGDMAPTGAA
SCHEMBL1072610 0.75 PTGER4 (0.31) KMT2AMEN1
SCHEMBL15093179 0.74 P2RX3 (0.41) ALDH1A1KMT2AMEN1HPGDLMNA
SCHEMBL12709919 0.73 GAA (0.42) RXFP1ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL1072517 0.73 ALDH1A1 (0.41) TDP1RXFP1ALDH1A1KMT2AMEN1

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-20110046161-A1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME LLC 2011-02-24 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-20110046161-A1 HCV NS3 PROTEASE INHIBITORS HAVCR2, GTF3C3, CTSC TDP1 3107/4885RXFP1 4217/4885ALDH1A1 1199/4885

“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.