SCHEMBL4130685

SCHEMBL4130685

O=C(O)c1ccc2nc(-c3ccccc3Br)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NPC1 O15118 2/20 0.43
RARB P10826 1/20 0.43
RARG P13631 1/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
MGAM O43451 1/20 0.42
MCL1 Q07820 1/20 0.41
GRM2 Q14416 1/20 0.41
TTR P02766 1/20 0.41
LMNA P02545 1/20 0.40
NFKB1 P19838 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
SCHEMBL31212272 0.90 RAB9A (0.46) RAB9AKMT2AMEN1PKMHTT
SCHEMBL25982527 0.90 RAB9A (0.46) RAB9AKMT2AMEN1PKMHTT
SCHEMBL1289514 0.81 ESR1 (0.48) RAB9AKMT2AMEN1NPC1RARB
SCHEMBL29746225 0.80 KDM4E (0.57) RAB9ANPC1RARBRARGKDM4E
SCHEMBL4129028 0.80 KDM4E (0.57) RAB9ANPC1RARBRARGKDM4E
SCHEMBL4118341 0.80 GRM2 (0.44) RAB9AKMT2AMEN1PKMHTT
SCHEMBL25982529 0.77 GRM2 (0.38) RAB9AKMT2AMEN1PKMHTT
SCHEMBL31212339 0.77 GRM2 (0.38) RAB9AKMT2AMEN1PKMHTT
SCHEMBL4140988 0.77 KDM4E (0.57) RAB9AKMT2AMEN1PKMHTT
SCHEMBL9251867 0.76 CYP1A2 (0.49) RAB9AKMT2AMEN1NPC1KDM4E

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-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
EP-1651631-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC. (US) 2006-05-03 EP disclosed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US disclosed
WO-2005012288-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC (US) 2005-02-10 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-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES HAVCR2, MAVS, ZC3HAV1 RAB9A 893/4885KMT2A 2410/4885MEN1 4832/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 RAB9A 893/4885KMT2A 2410/4885MEN1 4832/4885

“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.