SCHEMBL1463396

SCHEMBL1463396

O=[N+]([O-])c1cccc(-c2cnc3ccccc3n2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 1.00
RAB9A P51151 5/20 1.00
BCHE P06276 1/20 0.71
ACHE P22303 1/20 0.71
MAPT P10636 7/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
ALDH1A1 P00352 5/20 0.61
THRB P10828 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
CYP1A2 P05177 1/20 0.60
TOP1 P11387 1/20 0.58
LMNA P02545 2/20 0.58
IDO1 P14902 1/20 0.54
MEN1 O00255 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL28033454 0.85 RAB9A (0.74) NPC1RAB9ABCHEACHEMAPT
SCHEMBL28221793 0.85 RAB9A (0.74) NPC1RAB9ABCHEACHEMAPT
SCHEMBL30846536 0.85 NPC1 (0.73) NPC1RAB9ABCHEACHEMAPT
SCHEMBL29184271 0.85 NPC1 (0.73) NPC1RAB9ABCHEACHEMAPT
SCHEMBL7153742 0.83 NPC1 (1.00) NPC1RAB9ABCHEMAPTSMN1; SMN2
SCHEMBL30461135 0.82 RAB9A (0.69) NPC1RAB9ABCHEACHEMAPT
SCHEMBL30461136 0.82 RAB9A (0.69) NPC1RAB9ABCHEACHEMAPT
SCHEMBL28222646 0.82 RAB9A (0.70) NPC1RAB9ABCHEACHEMAPT
SCHEMBL12814738 0.82 NPC1 (0.71) NPC1RAB9ABCHEACHEMAPT
SCHEMBL18883026 0.82 NPC1 (0.69) NPC1RAB9ABCHEACHEMAPT

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
CN-105367792-A Quinoxaline diamine type polybenzoxazine foam material and preparation method UNIV HARBIN ENG 2016-03-02 CN claimed
CN-105367792-A Quinoxaline diamine type polybenzoxazine foam material and preparation method UNIV HARBIN ENG 2016-03-02 CN disclosed
US-8592415-B2 Selective kinase inhibitors REACTION BIOLOGY CORP. (US) 2013-11-26 US disclosed
EP-2396004-A1 SELECTIVE KINASE INHIBITORS Reaction Biology Corp. (US) 2011-12-21 EP disclosed
US-20110071149-A1 SELECTIVE KINASE INHIBITORS REACTION BIOLOGY CORP. (US) 2011-03-24 US disclosed
US-20110071149-A1 SELECTIVE KINASE INHIBITORS REACTION BIOLOGY CORP. (US) 2011-03-24 US disclosed
WO-2010093808-A1 SELECTIVE KINASE INHIBITORS REACTION BIOLOGY CORP. (US) 2010-08-19 WO disclosed
WO-2003007959-A1 QUINOXALINE DERIVATIVES WHICH HAVE PARP INHIBITORY ACTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-01-30 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 (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-20110071149-A1 SELECTIVE KINASE INHIBITORS JAK3, JAK1, JAK2 NPC1 3267/4885RAB9A 1139/4885BCHE 4850/4885

“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.