SCHEMBL215008

SCHEMBL215008

Nc1c(OCCCl)cccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
RECQL P46063 2/20 0.56
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 1/20 0.45
ALDH1A1 P00352 8/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 3/20 0.42
TDP1 Q9NUW8 3/20 0.41
TTR P02766 1/20 0.41
ALB P02768 1/20 0.41
THRB P10828 1/20 0.41
TSHR P16473 1/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 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
SCHEMBL11539115 0.94 NPC1 (0.56) NPC1RAB9ARECQLKMT2AMEN1
SCHEMBL11545921 0.90 NPC1 (0.68) NPC1RAB9ARECQLKMT2AMEN1
SCHEMBL11545573 0.89 NPC1 (0.61) NPC1RAB9ARECQLKMT2AMEN1
SCHEMBL11545932 0.89 NPC1 (0.61) NPC1RAB9ARECQLKMT2AMEN1
SCHEMBL907915 0.84 NPC1 (0.56) NPC1RAB9ARECQLKMT2AMEN1
SCHEMBL30967467 0.84 NPC1 (0.56) NPC1RAB9ARECQLKMT2AMEN1
SCHEMBL7408359 0.84 NPC1 (0.56) NPC1RAB9ARECQLKMT2AMEN1
SCHEMBL29905043 0.83 NPC1 (0.79) NPC1RAB9ARECQLKMT2AMEN1
SCHEMBL11544509 0.83 NPC1 (0.53) NPC1RAB9ARECQLKMT2AMEN1
SCHEMBL2057627 0.83 NPC1 (0.79) NPC1RAB9ARECQLKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO disclosed
EP-1068199-B1 N-ARYLOXYETHYL-INDOLY-ALKYLAMINES FOR THE TREATMENT OF DEPRESSION WYETH CORP (US) 2002-11-13 EP disclosed
EP-0963372-A1 5-AMINOALKOXY-1,4-DIHYDROQUINOXALINE-2,3-DIONES BEING DOPAMINE AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-12-15 EP disclosed
US-5990144-A TREATING PARKINSON'S DISEASE, TOURETTE'S SYNDROME, SCHIZOPHRENIA, AND ALCOHOL AND DRUG ADDICTION; DOPAMINERGIC PROPERTIES; SIDE-EFFECT REDUCTION AMERICAN HOME PRODUCTS CORPORATION (US) 1999-11-23 US disclosed
US-5972958-A 4-aminoalkoxy-1,3-dihydro-benzoimidazol-2-thiones AMERICAN HOME PRODUCTS CORPORATION (US) 1999-10-26 US disclosed
WO-1999051591-A2 N-ARYLOXYETHYL-INDOLY-ALKYLAMINES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 1999-10-14 WO disclosed
WO-1999051576-A1 N-ARYLOXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 1999-10-14 WO disclosed
US-5922715-A 5-aminoalkoxy-1, 4-dihydroquinoxaline-2, 3-diones AMERICAN HOME PRODUCTS CORPORATION (US) 1999-07-13 US disclosed
WO-1998035946-A1 4-AMINOALKOXY-1,3-DIHYDROBENZOIMIDAZOL-2-ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS DOPAMINE AUTORECEPTOR (D2) AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-08-20 WO disclosed
WO-1998035945-A1 4-AMINOALKOXY-1H-BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS DOPAMINE AUTORECEPTOR (D2) AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-08-20 WO disclosed
WO-1998035947-A1 4-AMINOALKOXY-1,3-DIHYDROBENZOIMIDAZOL-2-THIONES DERIVATIVES, THEIR PREPARATION AND THEIR USE AS DOPAMINE AUTORECEPTOR (D2) AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-08-20 WO disclosed
WO-1998035948-A1 5-AMINOALKOXY-1,4-DIHYDROQUINOXALINE-2,3-DIONES BEING DOPAMINE AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-08-20 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 NPC1 3307/4885RAB9A 2213/4885RECQL 4093/4885

“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.