SCHEMBL10073038

SCHEMBL10073038

COc1ccc(CCNC(=O)c2ccc(Cl)c(Cl)c2)cc1OC

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.77
LMNA P02545 3/20 0.70
NPC1 O15118 1/20 0.65
RAB9A P51151 1/20 0.65
CA1 P00915 2/20 0.64
CA2 P00918 2/20 0.64
CA9 Q16790 2/20 0.64
CA7 P43166 1/20 0.64
CA14 Q9ULX7 1/20 0.64
MAPT P10636 6/20 0.63
MEN1 O00255 2/20 0.63
KMT2A Q03164 2/20 0.63
MAPK1 P28482 2/20 0.62
HPGD P15428 1/20 0.61
TSHR P16473 1/20 0.61
POLB P06746 1/20 0.60
CCR3 P51677 1/20 0.59
CA12 O43570 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.58

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
SCHEMBL7681303 0.87 LMNA (0.90) LMNASMN1; SMN2
SCHEMBL6801708 0.84 GAA (0.58) GAALMNACA1CA2CA9
SCHEMBL6801707 0.84 GAA (0.58) GAALMNACA1CA2CA9
SCHEMBL4488518 0.83 GAA (0.79) GAALMNANPC1RAB9ACA1
SCHEMBL28689186 0.83 GAA (0.79) GAALMNANPC1RAB9ACA1
SCHEMBL30597452 0.83 GAA (0.79) GAALMNANPC1RAB9ACA1
SCHEMBL7274134 0.82 NPC1 (0.85) GAALMNANPC1RAB9ACA1
SCHEMBL6270935 0.82 ALDH1A1 (0.77) GAANPC1RAB9ACA1CA2
SCHEMBL29356619 0.82 ALDH1A1 (0.77) GAANPC1RAB9ACA1CA2
SCHEMBL10452460 0.81 MAPT (0.66) LMNACA1CA2MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130012536-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-10 US disclosed
US-20130012536-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-01-10 US disclosed
US-20120035179-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2012-02-09 US disclosed
US-20120035179-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2012-02-09 US disclosed
US-20100125090-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-20 US disclosed
US-20100125090-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-20 US disclosed
US-7598412-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-06 US disclosed
US-7598412-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-06 US 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 (3 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-20130012536-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS ABCB11, ABCB1, ABCC5 GAA 397/4885LMNA 1873/4885NPC1 36/4885
US-20100125090-A1 Modulators of ATP-Binding Cassette Transporters ABCB11, ABCB1, ABCC5 GAA 397/4885LMNA 1873/4885NPC1 36/4885
US-20120035179-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS ABCB11, ABCB1, ABCC5 GAA 397/4885LMNA 1873/4885NPC1 36/4885

“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.