SCHEMBL6642153

SCHEMBL6642153

CCOC(=O)Cc1cccnc1Br

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
TBXAS1 P24557 1/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
BRD4 O60885 1/20 0.40
PRMT5 O14744 1/20 0.40

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
SCHEMBL1511082 0.85 CYP4F2 (0.57) MAPTLMNAALDH1A1KDM4EHSD17B10
SCHEMBL8998233 0.84 KDM4E (0.43) MAPTLMNAPKMALDH1A1KDM4E
SCHEMBL3595140 0.84 MAPT (0.48) MAPTTBXAS1LMNAMAPK1PKM
SCHEMBL24773721 0.82 LMNA (0.55) MAPTLMNAALDH1A1KDM4EHSD17B10
SCHEMBL9370451 0.81 MAPT (0.49) MAPTTBXAS1LMNAMAPK1PKM
SCHEMBL4061267 0.81 MAPT (0.52) MAPTTBXAS1LMNAMAPK1PKM
SCHEMBL27563569 0.81 SMN1; SMN2 (0.47) MAPTTBXAS1LMNAMAPK1PKM
SCHEMBL3587106 0.81 MAPT (0.46) MAPTTBXAS1LMNAMAPK1PKM
SCHEMBL4882694 0.81 MAPT (0.52) MAPTTBXAS1LMNAMAPK1PKM
Hydrochloric Acid SCHEMBL9753901 0.80 SMN1; SMN2 (0.46) MAPTTBXAS1LMNAMAPK1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104781238-A Pyrazole carboxamide compounds, compositions and methods of use HOFFMANN LA ROCHE 2015-07-15 CN disclosed
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 MAPT 4012/4885TBXAS1 1675/4885LMNA 2547/4885
US-20030100576-A1 Methods and compounds for inhibiting mrp1 ABCC1, ABCB11, ABCB1 MAPT 4262/4885TBXAS1 1532/4885LMNA 2226/4885

“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.