SCHEMBL2445933

SCHEMBL2445933

CCCCCCCCc1ccc2nc(N)sc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.68
NPC1 O15118 3/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
MAPT P10636 2/20 0.55
CYP3A4 P08684 2/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TLR8 Q9NR97 5/20 0.50
KDM4E B2RXH2 1/20 0.48
SCN4A P35499 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
AXL P30530 1/20 0.47
GFER P55789 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PIK3CD O00329 2/20 0.46

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
SCHEMBL8500947 1.00 RAB9A (0.68) RAB9ANPC1SMN1; SMN2MAPTCYP3A4
SCHEMBL5946675 1.00 RAB9A (0.68) RAB9ANPC1SMN1; SMN2MAPTCYP3A4
SCHEMBL8656868 0.98 RAB9A (0.69) RAB9ANPC1SMN1; SMN2MAPTCYP3A4
SCHEMBL9762807 0.94 RAB9A (0.71) RAB9ANPC1SMN1; SMN2MAPTCYP3A4
SCHEMBL113955 0.88 RAB9A (0.76) RAB9ANPC1SMN1; SMN2MAPTCYP3A4
SCHEMBL5946928 0.85 CASP3 (0.46) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL22926235 0.84 SMN1; SMN2 (0.49) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL2443034 0.84 CASP3 (0.51) RAB9ANPC1SMN1; SMN2TLR8CASP3
SCHEMBL11335376 0.82 APP (0.63) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL10383965 0.82 CASP3 (0.45) RAB9ANPC1SMN1; SMN2TLR8CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10081646-B2 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2018-09-25 US disclosed
US-20180002356-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2018-01-04 US disclosed
US-9798057-B2 Composition for polarization film, polarization film, and display device SAMSUNG ELECTRONICS CO., LTD. (KR) 2017-10-24 US disclosed
US-9708353-B2 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2017-07-18 US disclosed
EP-2364089-B1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC (US) 2016-12-07 EP disclosed
US-9181191-B2 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN MA INC. (US) 2015-11-10 US disclosed
US-20150232492-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN MA INC. 2015-08-20 US disclosed
US-20140339482-A1 COMPOSITION FOR POLARIZATION FILM, POLARIZATION FILM, AND DISPLAY DEVICE KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2014-11-20 US disclosed
US-20140100195-A1 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN MA INC. 2014-04-10 US disclosed
US-8349849-B2 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN IDEC MA INC. (US) 2013-01-08 US disclosed
EP-2364089-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS Biogen Idec MA Inc. (US) 2011-09-14 EP disclosed
US-20100160357-A1 Heterobicyclic sphingosine 1-phosphate analogs BIOGEN MA INC. 2010-06-24 US disclosed
WO-2010051031-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS BIOGEN IDEC MA INC. (US) 2010-05-06 WO disclosed
EP-0498277-B1 Optically active benzthiazoles, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KK (JP) 1995-10-18 EP disclosed
US-5194177-A Trifluoromethylalkyl ethers of benzothiazolebenzyl compounds CANON KABUSHIKI KAISHA (JP) 1993-03-16 US disclosed
EP-0498277-A1 Optically active benzthiazoles, liquid crystal composition, liquid crystal device, display apparatus and display method CANON KABUSHIKI KAISHA (JP) 1992-08-12 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 (5 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-20180002356-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR4 RAB9A 2500/4885NPC1 592/4885SMN1; SMN2 1771/4885
US-20150232492-A1 HETEROBICYCLIC SPHINGOSINE 1-PHOSPHATE ANALOGS S1PR1, S1PR2, S1PR4 RAB9A 2500/4885NPC1 592/4885SMN1; SMN2 1771/4885
US-20140100195-A1 Heterobicyclic sphingosine 1-phosphate analogs S1PR1, S1PR2, S1PR4 RAB9A 2500/4885NPC1 592/4885SMN1; SMN2 1771/4885
US-20100160357-A1 Heterobicyclic sphingosine 1-phosphate analogs S1PR1, S1PR2, S1PR4 RAB9A 2500/4885NPC1 592/4885SMN1; SMN2 1771/4885
US-10081646-B2 Heterobicyclic sphingosine 1-phosphate analogs S1PR1, S1PR2, S1PR4 RAB9A 2500/4885NPC1 592/4885SMN1; SMN2 1771/4885

“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.