SCHEMBL408901

SCHEMBL408901

CCOC(=O)c1cn(-c2ccc(F)cc2)nc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.60
RAB9A P51151 5/20 0.60
LMNA P02545 1/20 0.60
DGAT1 O75907 5/20 0.52
NPSR1 Q6W5P4 2/20 0.47
MAPK1 P28482 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 1/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
GRM2 Q14416 1/20 0.47
GLA P06280 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
CA12 O43570 3/20 0.46
CA9 Q16790 3/20 0.46
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL24303811 0.89 CA12 (0.56) NPC1RAB9ALMNADGAT1NPSR1
SCHEMBL408365 0.89 DGAT1 (0.59) NPC1RAB9ALMNADGAT1NPSR1
SCHEMBL408172 0.89 NPSR1 (0.60) NPC1RAB9ADGAT1NPSR1MAPK1
SCHEMBL22324675 0.88 DGAT1 (0.55) NPC1RAB9ALMNADGAT1NPSR1
SCHEMBL4298343 0.88 DGAT1 (0.67) NPC1RAB9ALMNADGAT1ALDH1A1
SCHEMBL4300650 0.88 NPSR1 (0.59) NPC1RAB9ALMNADGAT1NPSR1
SCHEMBL408173 0.88 NPC1 (0.45) NPC1RAB9ALMNADGAT1NPSR1
SCHEMBL6178854 0.86 DGAT1 (0.51) NPC1RAB9ALMNADGAT1NPSR1
SCHEMBL443532 0.86 DGAT1 (0.52) NPC1RAB9ALMNADGAT1NPSR1
SCHEMBL22493020 0.85 MAPT (0.62) NPC1RAB9ALMNADGAT1NPSR1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4648851-A1 SUBSTITUTED (HETERO)ANILINES AND THEIR USE Astrazeneca AB (SE) 2025-11-19 EP disclosed
WO-2024149728-A1 SUBSTITUTED (HETERO)ANILINES AND THEIR USE ASTRAZENECA AB (SE) 2024-07-18 WO disclosed
WO-2024149728-A1 SUBSTITUTED (HETERO)ANILINES AND THEIR USE ASTRAZENECA AB (SE) 2024-07-18 WO disclosed
EP-2462139-B1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-01-14 EP disclosed
EP-2462139-B1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-01-14 EP disclosed
EP-2668182-A1 IL17 AND IFN-GAMMA INHIBITION FOR THE TREATMENT OF AUTOIMMUNE INFLAMMATION 4SC Discovery GmbH (DE) 2013-12-04 EP disclosed
US-8399451-B2 Heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-19 US disclosed
US-8399451-B2 Heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-19 US disclosed
US-8399451-B2 Heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-19 US disclosed
WO-2012101261-A1 IL17 AND IFN-GAMMA INHIBITION FOR THE TREATMENT OF AUTOIMMUNE INFLAMMATION 4SC DISCOVERY GMH (DE) 2012-08-02 WO disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20110190255-A1 HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2011-08-04 US disclosed
US-20110190255-A1 HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2011-08-04 US disclosed
WO-2011017578-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-02-10 WO disclosed
US-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 US disclosed
US-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 US disclosed
US-20090286791-A1 Amide Compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-19 US disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 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-20090286791-A1 Amide Compounds DLAT, DGAT2, DGAT1 NPC1 214/4885RAB9A 2100/4885LMNA 3831/4885
US-20110190255-A1 HETEROCYCLIC COMPOUNDS S1PR1, S1PR3, S1PR5 NPC1 869/4885RAB9A 826/4885LMNA 2403/4885
US-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT NPC1 142/4885RAB9A 1525/4885LMNA 4016/4885

“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.