SCHEMBL6069707

SCHEMBL6069707

Cc1onc(-c2ncccc2F)c1C(=O)NC1CCCC(CNC(=O)OCc2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 5/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.40
CNR2 P34972 3/20 0.40
CNR1 P21554 2/20 0.40
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CCKBR P32239 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GABRA1 P14867 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL6069551 0.88 KMT2A (0.50) GABRA5KMT2AMEN1CNR2CNR1
SCHEMBL6642563 0.88 KMT2A (0.54) KMT2AMEN1NPSR1ALDH1A1LMNA
SCHEMBL6640226 0.87 KMT2A (0.45) GABRA5KMT2AMEN1NPSR1LMNA
SCHEMBL6069102 0.87 KMT2A (0.43) GABRA5KMT2AMEN1NPSR1ALDH1A1
SCHEMBL6069351 0.84 KMT2A (0.45) GABRA5KMT2AMEN1NPSR1ALDH1A1
SCHEMBL6638254 0.83 KMT2A (0.55) KMT2AMEN1NPSR1ALDH1A1LMNA
SCHEMBL6069341 0.83 KMT2A (0.47) GABRA5KMT2AMEN1NPSR1ALDH1A1
SCHEMBL6638257 0.83 KMT2A (0.55) KMT2AMEN1NPSR1ALDH1A1LMNA
SCHEMBL6069525 0.82 KMT2A (0.42) GABRA5KMT2AMEN1ALDH1A1
SCHEMBL6069614 0.82 KMT2A (0.51) GABRA5KMT2AMEN1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037921-B2 Useful for inhibiting resistant neoplasms where the resistance is conferred in part or in total by multidrug resistance protein MRP1 ELI LILLY AND COMPANY (US) 2006-05-02 US disclosed
EP-1392702-B1 COMPOUNDS AND METHODS FOR INHIBITING MRP1 LILLY CO ELI (US) 2005-11-30 EP disclosed
US-20040097507-A1 Compounds and methods for inhibiting mrp1 BONJOUKLIAN ROSANNE (US) 2004-05-20 US disclosed
EP-1392702-A1 COMPOUNDS AND METHODS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2004-03-03 EP disclosed
WO-2002081482-A1 COMPOUNDS AND METHODS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2002-10-17 WO 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-20040097507-A1 Compounds and methods for inhibiting mrp1 ABCC1, ABCB1, ABCB11 GABRA5 4208/4885KMT2A 3995/4885MEN1 1445/4885

“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.