SCHEMBL2852811

SCHEMBL2852811

Nc1ccc(-n2ncc(C(=O)O)c2C(F)(F)F)cc1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.76
POLB P06746 1/20 0.76
SMN1; SMN2 Q16637 1/20 0.76
KDM4E B2RXH2 3/20 0.59
ALDH1A1 P00352 2/20 0.59
KEAP1 Q14145 5/20 0.50
NFE2L2 Q16236 5/20 0.50
HSD11B1 P28845 1/20 0.50
LMNA P02545 1/20 0.47
RAB9A P51151 3/20 0.47
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
NPC1 O15118 2/20 0.46
CRHBP P24387 1/20 0.44
MC4R P32245 1/20 0.44
CRHR2 Q13324 1/20 0.44

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
SCHEMBL24304002 0.88 MAPT (0.58) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL1064768 0.87 MAPT (0.78) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL22209242 0.87 MAPT (0.78) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL2300679 0.87 MAPT (0.78) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL2856265 0.87 MAPT (0.78) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL595690 0.86 MAPT (1.00) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL2064195 0.85 MAPT (0.76) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL2300568 0.85 MAPT (0.76) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL24303272 0.85 MAPT (0.76) MAPTPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL2300795 0.85 MAPT (0.70) MAPTPOLBSMN1; SMN2KDM4EALDH1A1

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 4 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-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed
US-7285554-B2 Pyrazolyl-substituted benzene or thiophene coupled to an aryl, cycloalkyl or heteroaryl ring by an amide, e.g., 4'-chloro-5-(1,4-dimethyl-5-trifluoromethyl-1H-pyrazol-3-yl)thiophene-2-carboxyanilide; calcium release-activated calcium channel inhibitors; treating bronchial asthma and rheumatoid arthritis ASTELLAS PHARMA INC. (JP) 2007-10-23 US disclosed
US-20060264430-A1 Pyrazolyl-substituted benzene or thiophene coupled to an aryl, cycloalkyl or heteroaryl ring by an amide, e.g., 4'-chloro-5-(1,4-dimethyl-5-trifluoromethyl-1H-pyrazol-3-yl)thiophene-2-carboxyanilide; calcium release-activated calcium channel inhibitors; treating bronchial asthma and rheumatoid arthritis ASTELLAS PHARMA INC. 2006-11-23 US 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-20060264430-A1 Pyrazolyl-substituted benzene or thiophene coupled to an aryl, cycloalkyl or heteroaryl ring by an amide, e.g., 4'-chloro-5-(1,4-dimethyl-5-trifluoromethyl-1H-pyrazol-3-yl)thiophene-2-carboxyanilide; calcium release-activated calcium channel inhibitors; treating bronchial asthma and rheumatoid arthritis RYR2, HRH4, RYR1 MAPT 4277/4885POLB 4383/4885SMN1; SMN2 4791/4885

“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.