SCHEMBL6996541

SCHEMBL6996541

Nc1ccc2c(c1C(=O)O)OCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 1/20 0.44
SRD5A2 P31213 1/20 0.44
AOC3 Q16853 3/20 0.38
TXNRD1 Q16881 1/20 0.37
TXNRD3 Q86VQ6 1/20 0.37
TXNRD2 Q9NNW7 1/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
HTT P42858 1/20 0.36
KDM4C Q9H3R0 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 2/20 0.35
PKM P14618 2/20 0.35

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
SCHEMBL15569955 0.86 KDM4E (0.44) ALDH1A1HTTNPC1RAB9ASMN1; SMN2
SCHEMBL339590 0.84 SMN1; SMN2 (0.41) ALDH1A1MAPK1SRD5A2AOC3TXNRD1
Hydrochloric Acid SCHEMBL11259230 0.84 KDM4E (0.43) ALDH1A1HTTNPC1RAB9ASMN1; SMN2
SCHEMBL31353412 0.80 KDM4E (0.42) ALDH1A1MAPK1HTTNPC1RAB9A
SCHEMBL7851584 0.80 KDM4E (0.42) ALDH1A1MAPK1HTTNPC1RAB9A
SCHEMBL11131562 0.80 MAPT (0.37) ALDH1A1MAPK1SRD5A2AOC3TXNRD1
SCHEMBL9489186 0.80 ALDH1A1 (0.46) ALDH1A1MAPK1SRD5A2AOC3TXNRD1
SCHEMBL10705275 0.79 HPGD (0.43) ALDH1A1AOC3RAB9ASMN1; SMN2HPGD
SCHEMBL4493633 0.79 ALDH1A1 (0.44) ALDH1A1MAPK1SRD5A2AOC3TXNRD1
SCHEMBL423788 0.79 AOC3 (0.49) ALDH1A1MAPK1SRD5A2AOC3TXNRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399490-B2 Insecticides SYNGENTA CROP PROTECTION LLC (US) 2013-03-19 US disclosed
US-8399490-B2 Insecticides SYNGENTA CROP PROTECTION LLC (US) 2013-03-19 US disclosed
EP-2167484-B1 CONDENSED ANTHRANILAMIDE INSECTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2011-12-21 EP disclosed
US-20100273830-A1 NOVEL INSECTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-10-28 US disclosed
US-20100273830-A1 NOVEL INSECTICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-10-28 US disclosed
WO-2009010260-A2 CONDENSED ANTHRANILAMIDE INSECTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-01-22 WO disclosed
WO-2003106435-A1 FUSED-RING PYRIMIDIN-4(3H)-ONE DERIVATIVES, PROCESSES FOR THE PREPARATION AND USES THEREOF SANKYO COMPANY, LIMITED (JP) 2003-12-24 WO disclosed
EP-1095021-B1 QUINOLINE DERIVATIVES ACTIVE BIOTECH AB (SE) 2003-09-17 EP disclosed
US-6593343-B2 Quinoline derivatives ACTIVE BIOTECH AB (SE) 2003-07-15 US disclosed
EP-1073639-B1 QUINOLINE DERIVATIVES ACTIVE BIOTECH AB (SE) 2002-11-27 EP disclosed
US-20020173520-A1 Quinoline derivatives ACTIVE BIOTECH AB (SE) 2002-11-21 US disclosed
US-20020173519-A1 Quinoline derivatives ACTIVE BIOTECH AB (SE) 2002-11-21 US disclosed
EP-1095021-A1 QUINOLINE DERIVATIVES Active Biotech AB (SE) 2001-05-02 EP disclosed
EP-1073639-A1 QUINOLINE DERIVATIVES Active Biotech AB (SE) 2001-02-07 EP disclosed
US-6133285-A 1-METHYL-2-OXO-3-N-PHENYL-N-METHYLAMINOCARBONYL-4-HYDROXY-1,2 -DIHYDRO-QUINOLINES; AUTOIMMUNE DISEASE AND PATHOLOGICAL INFLAMMATION, E.G., ASTHMA, ATHEROSCLEROSIS, STROKE AND ALZHEIMER'S DISEASE AND, ESPECIALLY, MULTIPLE SCLEROSIS ACTIVE BIOTECH AB (SE) 2000-10-17 US disclosed
US-6077851-A USED FOR TREATMENT OF DISEASES RESULTING FROM AUTOIMMUNITY SUCH AS MULTIPLE SCLEROSIS, INSULIN-DEPENDENT DIABETES MELLITUS, SYSTEMIC LUPUS ERYTHEMATOSUS, RHEUMATOID ARTHRITIS, INFAMMATORY BOWEL DISEASE AND PSORIASIS; LAQUINIMOD AS NEW CHEMICAL ENTITY ACTIVE BIOTECH AB (SE) 2000-06-20 US disclosed
WO-2000003991-A1 QUINOLINE DERIVATIVES ACTIVE BIOTECH AB (SE) 2000-01-27 WO disclosed
WO-1999055678-A1 QUINOLINE DERIVATIVES ACTIVE BIOTECH AB (SE) 1999-11-04 WO disclosed
EP-0805812-A1 BICYCLIC SUBSTITUTED HEXAHYDROBENZ(E)ISOINDOLE ALPHA-1- ADRENERGIC ANTAGONISTS Abbott Laboratories (US) 1997-11-12 EP disclosed
WO-1996022991-A1 BICYCLIC SUBSTITUTED HEXAHYDROBENZ[E]ISOINDOLE ALPHA-1- ADRENERGIC ANTAGONISTS ABBOTT LABORATORIES (US) 1996-08-01 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 (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-20020173520-A1 Quinoline derivatives CYP4F3, IRF3, CXCR3 ALDH1A1 3735/4885MAPK1 2380/4885SRD5A2 170/4885
US-20100273830-A1 NOVEL INSECTICIDES NR5A2, NR2C2, NOX5 ALDH1A1 1573/4885MAPK1 2012/4885SRD5A2 34/4885
US-20020173519-A1 Quinoline derivatives CASP1, NFKBIA, IL1B ALDH1A1 832/4885MAPK1 275/4885SRD5A2 1996/4885

“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.