SCHEMBL1464802

SCHEMBL1464802

[c]1occc1-c1ccc2ccccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.46
NPC1 O15118 11/20 0.46
ALDH1A1 P00352 9/20 0.46
HSD17B10 Q99714 4/20 0.46
PKM P14618 4/20 0.46
HPGD P15428 4/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
TP53 P04637 3/20 0.46
HCRTR1 O43613 1/20 0.46
CYP3A4 P08684 3/20 0.44
CYP1A2 P05177 3/20 0.44
AR P10275 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 10/20 0.42
SMN1; SMN2 Q16637 7/20 0.42
PMP22 Q01453 2/20 0.42

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
Iodide SCHEMBL4392302 0.74 RAB9A (0.59) RAB9ANPC1ALDH1A1HSD17B10PKM
SCHEMBL29374931 0.73 RAB9A (0.64) RAB9ANPC1ALDH1A1HSD17B10PKM
SCHEMBL170196 0.73 RAB9A (0.64) RAB9ANPC1ALDH1A1HSD17B10PKM
SCHEMBL10866984 0.71 RAB9A (0.61) RAB9ANPC1ALDH1A1HSD17B10PKM
SCHEMBL31365172 0.71 RAB9A (0.61) RAB9ANPC1ALDH1A1HSD17B10PKM
SCHEMBL28990083 0.71 RAB9A (0.61) RAB9ANPC1ALDH1A1HSD17B10PKM
Hydrochloric Acid SCHEMBL31243061 0.71 ALDH1A1 (0.63) RAB9ANPC1ALDH1A1HSD17B10PKM
SCHEMBL30883993 0.71 RAB9A (0.61) RAB9ANPC1ALDH1A1HSD17B10PKM
SCHEMBL31490600 0.71 RAB9A (0.61) RAB9ANPC1ALDH1A1HSD17B10PKM
SCHEMBL34463709 0.71 RAB9A (0.61) RAB9ANPC1ALDH1A1HSD17B10PKM

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110071293-A1 LIGHT-EMITTING MATERIAL COMPRISING ORTHOMETALATED IRIDIUM COMPLEX, LIGHT-EMITTING DEVICE, HIGH EFFICIENCY RED LIGHT-EMITTING DEVICE, AND NOVEL IRIDIUM COMPLEX FUJIFILM CORPORATION (JP) 2011-03-24 US disclosed
EP-1971357-A2 USE OF TPP II INHIBITORS IN COMBINATION WITH GAMMA-IRRADIATION FOR THE TREATMENT OF CANCER Oncoreg AB (SE) 2008-09-24 EP disclosed
US-20080114018-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESEARCH LIMITED 2008-05-15 US disclosed
WO-2007080194-A2 USE OF TPP II INHIBITORS IN COMBINATION WITH GAMMA-IRRADIATION FOR THE TREATMENT OF CANCER ONCOREG AB (SE) 2007-07-19 WO disclosed
EP-1797108-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING BIOFILMS AND BACTERIAL INFECTIONS Eldridge, Gary R. (US) 2007-06-20 EP disclosed
WO-2006031943-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR CONTROLLING BIOFILMS AND BACTERIAL INFECTIONS ELDRIDGE GARY R (US) 2006-03-23 WO disclosed
EP-1121355-B1 QUINOLINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2005-12-14 EP disclosed
US-6911442-B1 Quinoline derivatives as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2005-06-28 US disclosed
EP-1127057-B1 NAPHTHYRIDINE COMPOUNDS AND THIER AZAISOSTERIC ANALOGUES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2005-05-04 EP disclosed
US-6803369-B1 INHIBIT A BIOLOGICAL ACTIVITY OF A TOPOISOMERASE ENZYMES SMITHKLINE BEECHAM CORPORATION 2004-10-12 US disclosed
US-20030088100-A1 Process for producing optically active propargyl alcohols SUMIKA FINE CHEMICALS CO., LTD. 2003-05-08 US disclosed
EP-1187828-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2002-03-20 EP disclosed
EP-1127057-A1 NAPHTHYRIDINE COMPOUNDS AND THIER AZAISOSTERIC ANALOGUES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2001-08-29 EP disclosed
EP-1121355-A1 QUINOLINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2001-08-08 EP disclosed
WO-2000078748-A1 QUINOLINE DERIVATIVES AS ANTIBACTERIALS SMITHKLINE BEECHAM P.L.C. (GB) 2000-12-28 WO disclosed
WO-2000021948-A1 NAPHTHRYDINE COMPOUNDS AND THEIR AZAISOSTERIC ANALOGUES AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2000-04-20 WO disclosed
WO-2000021952-A1 QUINOLINE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2000-04-20 WO disclosed
EP-0039892-B1 SUBSTITUTED PHENYL ETHERS CIBA-GEIGY AG (CH) 1986-12-30 EP disclosed
US-4559354-A ADRENERGIC BLOCKING AGENTS AND STIMULANTS; CARDIOTONIC, ANTIARRHYTHMIA AND INOTROPIC AGENTS CIBA-GEIGY CORPORATION (US) 1985-12-17 US disclosed
EP-0039892-A1 Substituted phenyl ethers CIBA-GEIGY AG (CH) 1981-11-18 EP 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-20030088100-A1 Process for producing optically active propargyl alcohols ADH1A, ADH1C, ADH5 RAB9A 3280/4885NPC1 1301/4885ALDH1A1 27/4885
US-20110071293-A1 LIGHT-EMITTING MATERIAL COMPRISING ORTHOMETALATED IRIDIUM COMPLEX, LIGHT-EMITTING DEVICE, HIGH EFFICIENCY RED LIGHT-EMITTING DEVICE, AND NOVEL IRIDIUM COMPLEX IK, RPL23A, KIF23 RAB9A 81/4885NPC1 4267/4885ALDH1A1 1000/4885
US-20080114018-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands HTR2C, HTR2A, HTR1A RAB9A 3630/4885NPC1 968/4885ALDH1A1 1748/4885

“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.