SCHEMBL407742

SCHEMBL407742

CCOC(=O)c1c(-c2ccccn2)noc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GABRA5 P31644 4/20 0.42
TSHR P16473 2/20 0.41
POLB P06746 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 3/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGS2 P35354 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP2 O95551 4/20 0.39
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL286334 0.84 POLB (0.54) LMNAGABRA5TSHRPOLBALOX15
SCHEMBL1225880 0.83 POLB (0.56) LMNAGABRA5TSHRPOLBALOX15
SCHEMBL405411 0.81 LMNA (0.45) LMNACYP1A2CYP2C9CYP2C19GABRA5
SCHEMBL27837002 0.81 ESR1 (0.41) LMNAGABRA5KDM4EL3MBTL1PTGS2
SCHEMBL10111574 0.77 LMNA (0.49) LMNAGABRA5TSHRKDM4ECASP1
SCHEMBL20507207 0.76 HTT (0.51) LMNATSHRPOLBALOX15MAPK1
SCHEMBL20507208 0.76 GPBAR1 (0.51) LMNAPOLBKDM4EMEN1KMT2A
SCHEMBL1805715 0.76 LMNA (0.48) LMNAGABRA5TSHRKDM4ECASP1
SCHEMBL20507211 0.75 HTT (0.53) CYP1A2CYP2C9CYP2C19POLBL3MBTL1
SCHEMBL404315 0.74 TDP2 (0.49) LMNACYP1A2CYP2C9CYP2C19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2462139-B1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2015-01-14 EP disclosed
US-8404672-B2 Substituted heterocyclic compounds BRISTOL-MEYERS SQUIBB COMPANY (US) 2013-03-26 US disclosed
US-8399451-B2 Heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-19 US disclosed
EP-2462139-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR AGONISTS Bristol-Myers Squibb Company (US) 2012-06-13 EP disclosed
US-20120022041-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-01-26 US disclosed
EP-2389377-A1 SUBSTITUTED OXADIAZOLE DERIVATIVES AS S1P AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES Bristol-Myers Squibb Company (US) 2011-11-30 EP disclosed
US-8038731-B2 hair dyes contains naphthylimide thiol or disulphide groups; resistant and visible lightening effect on dark keratin fibres; cosmetics L'OREAL S.A. (FR) 2011-10-18 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
WO-2010085582-A1 SUBSTITUTED OXADIAZOLE DERIVATIVES AS S1P AGONISTS IN THE TREATMENT OF AUTOIMMUNE AND INFLAMMATORY DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-29 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-20110190255-A1 HETEROCYCLIC COMPOUNDS S1PR1, S1PR3, S1PR5 LMNA 2403/4885CYP1A2 3550/4885CYP2C9 4086/4885
US-20120022041-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS S1PR1, S1PR4, S1PR3 LMNA 3234/4885CYP1A2 2374/4885CYP2C9 3105/4885

“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.