SCHEMBL7092062

SCHEMBL7092062

O=C1CCN(c2nc(-c3ccccc3)cs2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
TP53 P04637 2/20 0.70
HSD17B10 Q99714 2/20 0.70
ALOX15 P16050 1/20 0.70
RAB9A P51151 7/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
MAPT P10636 6/20 0.66
NPC1 O15118 5/20 0.66
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
CYP1A2 P05177 2/20 0.66
CYP2C9 P11712 2/20 0.66
CYP2C19 P33261 2/20 0.66
LMNA P02545 4/20 0.63
MAPK1 P28482 3/20 0.63
HTT P42858 3/20 0.60
NPSR1 Q6W5P4 1/20 0.58
ALDH1A1 P00352 3/20 0.57
RECQL P46063 2/20 0.53

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
SCHEMBL18674670 0.87 AR (0.84) ARSMN1; SMN2TP53HSD17B10ALOX15
SCHEMBL3118282 0.84 AR (0.65) ARSMN1; SMN2TP53HSD17B10ALOX15
SCHEMBL18674671 0.84 AR (0.97) ARSMN1; SMN2TP53HSD17B10ALOX15
SCHEMBL17266249 0.83 SMN1; SMN2 (1.00) ARSMN1; SMN2TP53HSD17B10ALOX15
SCHEMBL3004754 0.83 SMN1; SMN2 (1.00) ARSMN1; SMN2TP53HSD17B10ALOX15
SCHEMBL17014725 0.81 RAB9A (1.00) ARSMN1; SMN2TP53HSD17B10ALOX15
SCHEMBL18674664 0.81 AR (0.75) ARSMN1; SMN2TP53HSD17B10ALOX15
SCHEMBL14183837 0.80 SMN1; SMN2 (0.72) ARSMN1; SMN2TP53HSD17B10ALOX15
SCHEMBL6629014 0.80 AR (1.00) ARSMN1; SMN2TP53HSD17B10ALOX15
SCHEMBL2710025 0.80 AR (0.72) ARSMN1; SMN2TP53HSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9993409-B2 Composition for dyeing keratin fibres, comprising an oxidation base and a particular heteroaryl coupler L'OREAL (FR) 2018-06-12 US disclosed
US-9993409-B2 Composition for dyeing keratin fibres, comprising an oxidation base and a particular heteroaryl coupler L'OREAL (FR) 2018-06-12 US disclosed
US-20170087075-A1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING AN OXIDATION BASE AND A PARTICULAR HETEROARYL COUPLER L'OREAL (FR) 2017-03-30 US disclosed
US-20170087075-A1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING AN OXIDATION BASE AND A PARTICULAR HETEROARYL COUPLER L'OREAL (FR) 2017-03-30 US disclosed
US-6605618-B2 Antidiabetic agents; hypoglycemic agents; anticholesterol agents; side effect reduction WYETH 2003-08-12 US disclosed
US-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists WYETH (US) 2003-01-23 US disclosed
US-6451814-B1 SUBSTITUTED 4-((4-AMINO-5-HYDROXYPHENYL)-OXY-)PIPERIDINE ANALOGS; METABOLIC DISORDERS; ANTIDIABETIC AGENTS; ATHERO-SCLEROSIS, GASTROINTESTINAL DISORDERS, GLAUCOMA, NEUROGENETIC INFLAMMATION, OCULAR HYPERTENSION AND FREQUENT URINATION WYETH 2002-09-17 US disclosed
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2002-03-07 US disclosed
WO-2002006229-A2 HETEROCYCLIC BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 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-20170087075-A1 COMPOSITION FOR DYEING KERATIN FIBRES, COMPRISING AN OXIDATION BASE AND A PARTICULAR HETEROARYL COUPLER KRT18, F12, CBR3 AR 562/4885SMN1; SMN2 4516/4885TP53 1902/4885
US-20030018045-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB2, ADRB1, ADRB3 AR 471/4885SMN1; SMN2 3162/4885TP53 4790/4885
US-20020028832-A1 Heterocyclic beta-3 adrenergic receptor agonists ADRB1, ADRB3, ADRB2 AR 438/4885SMN1; SMN2 2712/4885TP53 4644/4885

“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.