SCHEMBL2295633

SCHEMBL2295633

O=C(O)c1cnn(-c2cccc(Cl)n2)c1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
POLB P06746 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
KEAP1 Q14145 7/20 0.57
NFE2L2 Q16236 7/20 0.57
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
CRHBP P24387 1/20 0.48
MC4R P32245 1/20 0.48
CRHR2 Q13324 1/20 0.48
MALT1 Q9UDY8 1/20 0.44
GUCY1A1 Q02108 2/20 0.44
GUCY1B1 Q02153 2/20 0.44
ATM Q13315 1/20 0.43

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
SCHEMBL15187958 0.88 KEAP1 (0.50) MAPTPOLBSMN1; SMN2KEAP1NFE2L2
SCHEMBL27171656 0.84 POLB (0.60) MAPTPOLBSMN1; SMN2KEAP1NFE2L2
SCHEMBL21605271 0.84 POLB (0.60) MAPTPOLBSMN1; SMN2KEAP1NFE2L2
SCHEMBL3998254 0.82 KEAP1 (0.67) MAPTPOLBSMN1; SMN2KEAP1NFE2L2
SCHEMBL1782567 0.82 GUCY1A1 (0.62) MAPTPOLBSMN1; SMN2KEAP1NFE2L2
SCHEMBL27171651 0.82 POLB (0.58) MAPTPOLBSMN1; SMN2KEAP1NFE2L2
SCHEMBL3997434 0.81 KEAP1 (0.57) MAPTPOLBSMN1; SMN2KEAP1NFE2L2
SCHEMBL2850226 0.81 MALT1 (0.56) MALT1
SCHEMBL2364934 0.81 MEN1 (0.70) MAPTPOLBSMN1; SMN2KEAP1NFE2L2
SCHEMBL2856156 0.80 MAPT (0.58) MAPTPOLBSMN1; SMN2KEAP1NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
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
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
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
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
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed
WO-2009071504-A1 2,6-DISUBSTITUTED PYRIDINES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 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 (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-20110190255-A1 HETEROCYCLIC COMPOUNDS S1PR1, S1PR3, S1PR5 MAPT 4760/4885POLB 3979/4885SMN1; 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.