SCHEMBL7091942

SCHEMBL7091942

CNc1cccc(OC)c1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
ADORA2A P29274 3/20 0.40
ADORA1 P30542 3/20 0.40
KMT2A Q03164 1/20 0.40
APP P05067 2/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADORA2B P29275 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CASP3 P42574 1/20 0.38
CASP7 P55210 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38

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
SCHEMBL4739158 0.82 RAB9A (0.59) NPC1RAB9ALMNAMAPTCYP2C9
SCHEMBL26125104 0.80 HTT (0.49) NPC1RAB9ALMNAMAPTADORA2A
SCHEMBL22979854 0.78 ALDH1A1 (0.48) NPC1RAB9ALMNAMAPTKMT2A
SCHEMBL5528616 0.78 NR3C1 (0.47) NPC1RAB9ALMNAMAPTCYP2C9
SCHEMBL23638187 0.77 NPC1 (0.40) NPC1RAB9ALMNAMAPTCYP2C9
SCHEMBL2418287 0.77 CA1 (0.44) NPC1RAB9ALMNAMAPTCYP2C9
SCHEMBL25060006 0.75 ADORA2A (0.54) MAPTADORA2AADORA1ALDH1A1ADORA2B
SCHEMBL9510298 0.75 HSD17B10 (0.50) LMNAMAPTKMT2AALDH1A1SMN1; SMN2
SCHEMBL2394925 0.75 TSHR (0.40) MAPTADORA2AADORA1ALDH1A1SMN1; SMN2
SCHEMBL21965751 0.75 CYP1A2 (0.47) RAB9ALMNAMAPTADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 US 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

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-20020173520-A1 Quinoline derivatives CYP4F3, IRF3, CXCR3 NPC1 1497/4885RAB9A 2435/4885LMNA 2998/4885
US-20020173519-A1 Quinoline derivatives CASP1, NFKBIA, IL1B NPC1 1686/4885RAB9A 2111/4885LMNA 2938/4885

“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.