SCHEMBL7950232

SCHEMBL7950232

C/C(=N/Nc1ccc(Br)cc1)c1cccnc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.65
KMT2A Q03164 5/20 0.65
MEN1 O00255 4/20 0.65
GAA P10253 4/20 0.62
NPC1 O15118 4/20 0.62
MAOA P21397 2/20 0.53
MAOB P27338 2/20 0.53
MAPT P10636 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
POLB P06746 1/20 0.50
CASP6 P55212 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
Hydrochloric Acid SCHEMBL1606124 0.99 RAB9A (0.64) RAB9AKMT2AMEN1GAANPC1
SCHEMBL6681734 0.86 RAB9A (0.63) RAB9AKMT2AMEN1GAANPC1
SCHEMBL6681732 0.86 RAB9A (0.63) RAB9AKMT2AMEN1GAANPC1
SCHEMBL8225127 0.85 RAB9A (0.62) RAB9AKMT2AMEN1GAANPC1
SCHEMBL1605962 0.85 ALDH1A1 (0.68) RAB9AKMT2AMEN1GAANPC1
Hydrochloric Acid SCHEMBL6682864 0.84 KMT2A (0.69) RAB9AKMT2AMEN1GAANPC1
Hydrochloric Acid SCHEMBL6682861 0.84 KMT2A (0.69) RAB9AKMT2AMEN1GAANPC1
SCHEMBL21812481 0.81 ALDH1A1 (0.71) RAB9AKMT2AMEN1GAANPC1
SCHEMBL21812480 0.81 ALDH1A1 (0.71) RAB9AKMT2AMEN1GAANPC1
SCHEMBL2790141 0.77 KMT2A (0.67) RAB9AKMT2AMEN1GAANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9242963-B2 Organic compounds NOVARTIS AG (CH) 2016-01-26 US disclosed
US-20150210672-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2015-07-30 US disclosed
US-20140288126-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2014-09-25 US disclosed
US-8791141-B2 Organic compounds NOVARTIS AG (CH) 2014-07-29 US disclosed
US-8030334-B2 Organic compounds NOVARTIS AG (CH) 2011-10-04 US disclosed
US-8030334-B2 Organic compounds NOVARTIS AG (CH) 2011-10-04 US disclosed
US-20110082129-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-04-07 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 US disclosed
US-20100261698-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-10-14 US disclosed
WO-2009156462-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-30 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 (4 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-20110082129-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 RAB9A 4325/4885KMT2A 4447/4885MEN1 1570/4885
US-20100261698-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 RAB9A 4325/4885KMT2A 4447/4885MEN1 1570/4885
US-20150210672-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 RAB9A 4399/4885KMT2A 4274/4885MEN1 1326/4885
US-20140288126-A1 ORGANIC COMPOUNDS SLCO2B1, SLCO1B1, SLCO1B3 RAB9A 4399/4885KMT2A 4274/4885MEN1 1326/4885

“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.