SCHEMBL7217567

SCHEMBL7217567

c1ccc2sc(N3CCCCC3)nc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 17/20 0.71
NPC1 O15118 14/20 0.71
SMN1; SMN2 Q16637 7/20 0.71
POLB P06746 2/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
ALDH1A1 P00352 3/20 0.62
TSHR P16473 3/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
NPSR1 Q6W5P4 1/20 0.61
MAPT P10636 3/20 0.59
HTT P42858 1/20 0.59
HPGD P15428 1/20 0.58
CASP3 P42574 1/20 0.58
SENP8 Q96LD8 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
SENP6 Q9GZR1 1/20 0.58

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
SCHEMBL11783793 1.00 RAB9A (0.71) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL8526236 0.98 RAB9A (0.73) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL30582901 0.89 RAB9A (0.61) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL30582902 0.87 RAB9A (0.63) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL1713549 0.86 RAB9A (0.71) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL3549560 0.85 RAB9A (0.61) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL23965803 0.84 RAB9A (0.63) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL3216411 0.84 RAB9A (0.60) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL9571707 0.84 RAB9A (0.69) RAB9ANPC1SMN1; SMN2POLBCYP1A2
SCHEMBL29561851 0.84 RAB9A (0.69) RAB9ANPC1SMN1; SMN2POLBCYP1A2

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
WO-2021224864-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2021-11-11 WO disclosed
CN-103965186-A Benzodioxane-benzoxazole (benzothiazole) piperidine derivative and application thereof JIANGSU NHWA PHARMACEUTICAL CO LTD 2014-08-06 CN disclosed
CN-103965186-A Benzodioxane-benzoxazole (benzothiazole) piperidine derivative and application thereof JIANGSU NHWA PHARMACEUTICAL CO LTD 2014-08-06 CN disclosed
US-8759382-B2 Propargyl-trifluoromethoxy-aminobenzothiazole derivatives, their preparation and use TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2014-06-24 US disclosed
US-20130172364-A1 PROPARGYL-TRIFLUOROMETHOXY-AMINOBENZOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND USE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2013-07-04 US disclosed
CN-100497345-C 2, 3-dihydro-6-nitroimidazolo [2,1-b] oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2009-06-10 CN disclosed
CN-1878777-A 2,3-dihydro-6-nitroimidazo (2,1-b) oxazole compounds for the treatment of tuberculosis OTSUKA PHARMA CO LTD (JP) 2006-12-13 CN disclosed
US-6660751-B1 Sulfonamide derivatives as 5-HT7 receptor antagonists SMITHKLINE BEECHAM P.L.C. (GB) 2003-12-09 US disclosed
EP-0356385-A2 New benzazole derivatives, processes for their preparation and pharmaceutical preparations containing such compounds and the use thereof CIBA-GEIGY AG (CH) 1990-02-28 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 (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-20130172364-A1 PROPARGYL-TRIFLUOROMETHOXY-AMINOBENZOTHIAZOLE DERIVATIVES, THEIR PREPARATION AND USE PARK7, SNCA, PMP22 RAB9A 1589/4885NPC1 2744/4885SMN1; SMN2 83/4885

“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.