SCHEMBL6638602

SCHEMBL6638602

Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCC1CCCC(NC(=O)OC(C)(C)C)C1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
KMT2A Q03164 3/20 0.51
ATM Q13315 1/20 0.51
ALDH1A1 P00352 5/20 0.49
POLB P06746 2/20 0.49
ALOX15 P16050 1/20 0.49
NPC1 O15118 1/20 0.49
GLA P06280 1/20 0.48
PKM P14618 1/20 0.48
MAPT P10636 2/20 0.47
HPGD P15428 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL6640429 0.95 LMNA (0.56) LMNASMN1; SMN2KMT2AATMALDH1A1
SCHEMBL6640535 0.95 LMNA (0.56) LMNASMN1; SMN2KMT2AATMALDH1A1
SCHEMBL6639122 0.89 SMN1; SMN2 (0.54) LMNASMN1; SMN2KMT2AATMALDH1A1
SCHEMBL6636462 0.85 SMN1; SMN2 (0.55) LMNASMN1; SMN2KMT2AATMALDH1A1
SCHEMBL6644456 0.83 ACACB (0.40) LMNASMN1; SMN2KMT2AATMALDH1A1
SCHEMBL6642563 0.82 KMT2A (0.54) LMNASMN1; SMN2KMT2AATMALDH1A1
SCHEMBL6793704 0.80 SMN1; SMN2 (0.57) LMNASMN1; SMN2KMT2AATMALDH1A1
SCHEMBL7658519 0.80 SMN1; SMN2 (0.72) LMNASMN1; SMN2KMT2AATMALDH1A1
SCHEMBL6642290 0.79 SMN1; SMN2 (0.55) LMNASMN1; SMN2KMT2AATMALDH1A1
SCHEMBL6081455 0.79 GHSR (0.66) LMNAKMT2AALDH1A1POLBGLA

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 LMNA 2547/4885SMN1; SMN2 4263/4885KMT2A 4688/4885
US-20030100576-A1 Methods and compounds for inhibiting mrp1 ABCC1, ABCB11, ABCB1 LMNA 2226/4885SMN1; SMN2 4221/4885KMT2A 4622/4885

“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.