SCHEMBL4760802

SCHEMBL4760802

O=C(NCCc1ccccc1)C(=O)c1c[nH]c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 1.00
NPC1 O15118 1/20 1.00
POLB P06746 1/20 0.85
IGF1R P08069 2/20 0.81
GABRP O00591 3/20 0.78
GABRD O14764 3/20 0.78
GABRA1 P14867 3/20 0.78
GABRB1 P18505 3/20 0.78
GABRG2 P18507 3/20 0.78
GABRB3 P28472 3/20 0.78
GABRA5 P31644 3/20 0.78
GABRA3 P34903 3/20 0.78
GABRA2 P47869 3/20 0.78
GABRB2 P47870 3/20 0.78
GABRA4 P48169 3/20 0.78
GABRE P78334 3/20 0.78
GABRA6 Q16445 3/20 0.78
GABRG1 Q8N1C3 3/20 0.78
GABRG3 Q99928 3/20 0.78
GABRQ Q9UN88 3/20 0.78

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
SCHEMBL13896412 0.87 GABRP (1.00) RAB9ANPC1POLBIGF1RGABRP
SCHEMBL26090898 0.86 RAB9A (0.76) RAB9ANPC1POLBIGF1RGABRP
SCHEMBL13896416 0.85 NPC1 (0.74) RAB9ANPC1POLBIGF1RGABRP
SCHEMBL30712063 0.83 NPC1 (0.71) RAB9ANPC1POLBIGF1RGABRP
SCHEMBL7722990 0.82 NPC1 (0.69) RAB9ANPC1POLBIGF1RGABRP
SCHEMBL3123492 0.82 GABRP (0.74) RAB9ANPC1POLBIGF1RGABRP
SCHEMBL31060147 0.81 POLB (0.73) RAB9ANPC1POLBIGF1RGABRP
SCHEMBL7719104 0.81 NPC1 (0.67) RAB9ANPC1POLBIGF1RGABRP
SCHEMBL30712070 0.80 GABRP (0.72) RAB9ANPC1POLBIGF1RGABRP
SCHEMBL18229454 0.80 POLB (0.70) RAB9ANPC1POLBLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853254-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-07 US disclosed
US-8853254-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-07 US disclosed
US-8853254-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-10-07 US disclosed
US-20130184276-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-18 US disclosed
US-20130184276-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-18 US disclosed
US-20130184276-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-07-18 US disclosed
US-8314256-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-20 US disclosed
US-8314256-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-20 US disclosed
US-8314256-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-20 US disclosed
CN-101312722-A Modulators of atp-binding cassette transporters VERTEX PHARMA (US) 2008-11-26 CN disclosed
EP-1933831-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals, Inc. (US) 2008-06-25 EP disclosed
US-20070238775-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-10-11 US disclosed
US-20070238775-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-10-11 US disclosed
US-20070238775-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-10-11 US disclosed
WO-2007044560-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-04-19 WO disclosed
WO-2007044560-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-04-19 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-20070238775-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 RAB9A 2302/4885NPC1 29/4885POLB 1617/4885
US-20130184276-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 RAB9A 2302/4885NPC1 29/4885POLB 1617/4885

“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.