SCHEMBL6774056

SCHEMBL6774056

Cc1noc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H]1CCC[C@H](CNC(=O)OCc2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
LPAR1 Q92633 3/20 0.40
SCN9A Q15858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 1/20 0.37
ATM Q13315 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL6638957 1.00 KMT2A (0.42) KMT2AMEN1LPAR1SCN9ASMN1; SMN2
SCHEMBL6642563 0.90 KMT2A (0.54) KMT2AMEN1SCN9ASMN1; SMN2LMNA
SCHEMBL6644456 0.87 ACACB (0.40) KMT2ASMN1; SMN2LMNAPOLBALDH1A1
SCHEMBL6638257 0.85 KMT2A (0.55) KMT2AMEN1SCN9ASMN1; SMN2LMNA
SCHEMBL6638254 0.85 KMT2A (0.55) KMT2AMEN1SCN9ASMN1; SMN2LMNA
SCHEMBL6642320 0.83 MAPT (0.43) KMT2AMEN1SCN9ASMN1; SMN2POLB
SCHEMBL6640226 0.81 KMT2A (0.45) KMT2AMEN1SCN9ASMN1; SMN2LMNA
SCHEMBL6801757 0.81 MAPT (0.45) KMT2AMEN1SMN1; SMN2POLBALDH1A1
SCHEMBL6640582 0.79 KMT2A (0.55) KMT2AMEN1SMN1; SMN2LMNAPOLB
SCHEMBL6069341 0.79 KMT2A (0.47) KMT2AMEN1SCN9APOLBALDH1A1

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-6686376-B2 INHIBITING A RESISTANT NEOPLASM, OR A NEOPLASM SUSCEPTIBLE TO RESISTANCE IN A MAMMAL WHICH COMPRISES ADMINISTERING COMPOUND OF INVENTION ELI LILLY AND COMPANY 2004-02-03 US disclosed
US-20030232854-A1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 ELI LILLY AND COMPANY 2003-12-18 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-20030232854-A1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 ABCC1, ABCB11, ABCB1 KMT2A 4648/4885MEN1 2928/4885LPAR1 2182/4885

“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.