SCHEMBL5540171

SCHEMBL5540171

O=C(Nc1ccc(-n2ncc(C(=O)O)c2C(F)(F)F)cc1)c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
POLB P06746 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
ORAI1 Q96D31 2/20 0.57
HSD11B1 P28845 1/20 0.51
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 1/20 0.50
KDR P35968 1/20 0.48
TRPC1 P48995 1/20 0.48
TRPC3 Q13507 1/20 0.48
STIM1 Q13586 1/20 0.48
STIM2 Q9P246 1/20 0.48
NR3C1 P04150 2/20 0.48
ACHE P22303 1/20 0.48
P4HTM Q9NXG6 2/20 0.47

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
SCHEMBL2064195 0.87 MAPT (0.76) MAPTPOLBSMN1; SMN2HSD11B1KDM4E
SCHEMBL2857034 0.85 KDM4E (0.62) MAPTPOLBSMN1; SMN2ORAI1KDM4E
SCHEMBL8140350 0.85 MAPT (0.71) MAPTSMN1; SMN2ORAI1KDM4EALDH1A1
SCHEMBL2850282 0.83 KDM4E (0.58) MAPTPOLBSMN1; SMN2ORAI1KDM4E
SCHEMBL2855512 0.82 MALT1 (0.55) MAPTPOLBSMN1; SMN2ORAI1KDM4E
SCHEMBL2850892 0.81 NR1H4 (0.53) MAPTPOLBSMN1; SMN2ORAI1HSD11B1
SCHEMBL2856215 0.81 MAPT (0.66) MAPTSMN1; SMN2ORAI1KDM4EALDH1A1
SCHEMBL1064768 0.80 MAPT (0.78) MAPTPOLBSMN1; SMN2ORAI1HSD11B1
SCHEMBL2848212 0.80 MAPT (0.65) MAPTPOLBSMN1; SMN2ORAI1HSD11B1
SCHEMBL15561003 0.80 TRPC3 (0.72) MAPTPOLBSMN1; SMN2ORAI1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7247635-B2 Pyrazole derivative ASTELLAS PHARMA INC. (JP) 2007-07-24 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
US-6958339-B2 Pyrazole derivative ASTELLAS PHARMA INC. (JP) 2005-10-25 US disclosed
US-20050234055-A1 Pyrazole derivative ASTELLAS PHARMA INC. 2005-10-20 US disclosed
US-6348480-B1 CALCIUM CHANNEL BLOCKERS AND ANTIINFLAMMATORY AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
US-20010011090-A1 Pyrazole derivative ASTELLAS PHARMA INC. (JP) 2001-08-02 US disclosed
EP-1024138-A1 PYRAZOLE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2000-08-02 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 (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-20050234055-A1 Pyrazole derivative RYR2, RYR1, NR1I3 MAPT 3575/4885POLB 4586/4885SMN1; SMN2 4190/4885
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
US-20010011090-A1 Pyrazole derivative RYR1, CACNA1E, RYR2 MAPT 3634/4885POLB 4643/4885SMN1; SMN2 3702/4885

“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.