SCHEMBL6636640

SCHEMBL6636640

CCOC(=O)C1CCC(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)CC1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.65
MAPT P10636 2/20 0.60
TP53 P04637 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
ALDH1A1 P00352 3/20 0.55
HPGD P15428 1/20 0.55
KMT2A Q03164 4/20 0.55
HSD17B10 Q99714 2/20 0.55
GAA P10253 1/20 0.55
TSHR P16473 1/20 0.55
ATM Q13315 1/20 0.55
NPC1 O15118 1/20 0.55
MEN1 O00255 1/20 0.54
POLB P06746 3/20 0.53
ALOX15 P16050 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL6797604 0.90 MAPT (0.57) GHSRMAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL6067824 0.82 MAPT (0.51) GHSRMAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL6646245 0.80 SMN1; SMN2 (0.58) GHSRMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL2775568 0.79 MAPT (0.74) MAPTTP53SMN1; SMN2ALDH1A1HPGD
SCHEMBL6642406 0.79 KMT2A (0.62) GHSRMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL3634582 0.79 GHSR (1.00) GHSRMAPTALDH1A1KMT2AGAA
SCHEMBL6642290 0.78 SMN1; SMN2 (0.55) GHSRMAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL6801757 0.78 MAPT (0.45) GHSRMAPTTP53SMN1; SMN2ALDH1A1
SCHEMBL315827 0.77 GHSR (0.57) GHSRMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL316299 0.77 KMT2A (0.57) GHSRMAPTSMN1; SMN2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1250340-B1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 LILLY CO ELI (US) 2004-11-17 EP disclosed
US-20040176405-A1 Methods and compounds for inhibitting MRP1 KROIN JULIAN (US) 2004-09-09 US disclosed
US-6743794-B2 MULTIDRUG RESISTANCE PROTEIN; CANCER; 3-(9-CHLORO-3-METHYL-4-OXO-5H-ISOXAZOLO(4,3-C)QUINOLIN-5-YL)) CYCLOHEXYL)-2-PIPERIDYLACETAMIDE ELI LILLY AND COMPANY 2004-06-01 US disclosed
US-20030100576-A1 Methods and compounds for inhibiting mrp1 ELI LILLY AND COMPANY 2003-05-29 US disclosed
EP-1250340-A1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2002-10-23 EP disclosed
WO-2001046199-A1 METHODS AND COMPOUNDS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2001-06-28 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 (2 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-20040176405-A1 Methods and compounds for inhibitting MRP1 ABCC1, ABCB11, ABCB1 GHSR 4614/4885MAPT 4012/4885TP53 2033/4885
US-20030100576-A1 Methods and compounds for inhibiting mrp1 ABCC1, ABCB11, ABCB1 GHSR 4618/4885MAPT 4262/4885TP53 1851/4885

“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.