SCHEMBL6069682

SCHEMBL6069682

CCOC(=O)c1c(-c2c(Cl)cncc2Cl)noc1C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
ALDH1A1 P00352 4/20 0.48
HPGD P15428 3/20 0.48
POLB P06746 3/20 0.48
TSHR P16473 4/20 0.48
TP53 P04637 1/20 0.47
ADORA3 P0DMS8 2/20 0.47
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
GLA P06280 1/20 0.45
PKM P14618 1/20 0.45
MAPK1 P28482 2/20 0.45
ALOX15 P16050 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL16448979 0.86 TSHR (0.66) MAPTALDH1A1HPGDPOLBTSHR
SCHEMBL20094445 0.86 GHSR (0.45) MAPTALDH1A1HPGDPOLBTP53
SCHEMBL2003480 0.84 NR1H4 (0.45)
SCHEMBL1999960 0.82 NR1H4 (0.42)
SCHEMBL6069726 0.81 ALDH1A1 (0.55) MAPTALDH1A1HPGDTSHRADORA3
SCHEMBL6069355 0.81 MAPT (0.55) MAPTALDH1A1HPGDPOLBTSHR
SCHEMBL6069557 0.79 TDP1 (0.47) MAPTALDH1A1HPGDPOLBTSHR
SCHEMBL7056273 0.78 CYP2C9 (0.50) MAPTALDH1A1HPGDTSHRTP53
SCHEMBL2774527 0.78 MAPT (0.74) MAPTALDH1A1HPGDPOLBTSHR
SCHEMBL2775568 0.78 MAPT (0.74) MAPTALDH1A1HPGDPOLBTSHR

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 MAPT 4342/4885ALDH1A1 212/4885HPGD 513/4885

“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.