SCHEMBL5210893

SCHEMBL5210893

CC(C)n1nc(C(F)(F)F)cc1-c1ccc(C(=O)O)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.55
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC7 Q8WUI4 1/20 0.55
HDAC2 Q92769 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC11 Q96DB2 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
HDAC9 Q9UKV0 1/20 0.55
HDAC5 Q9UQL6 1/20 0.55
RAB9A P51151 4/20 0.54
ALDH1A1 P00352 4/20 0.54
NPC1 O15118 3/20 0.54
KDM4E B2RXH2 2/20 0.54
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
DAO P14920 1/20 0.40
STIM1 Q13586 1/20 0.40

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
SCHEMBL3249785 0.83 HDAC3 (0.77) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5211472 0.80 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5212364 0.79 ALDH1A1 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5623695 0.76 HDAC3 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
Dimethylamine SCHEMBL18241027 0.74 RAB9A (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL950617 0.72 KLKB1 (0.46) ALDH1A1KDM4E
SCHEMBL5212030 0.72 HDAC3 (0.75) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5904027 0.71 HDAC3 (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23657553 0.70 RAB9A (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9966070 0.70 RAB9A (1.00) HDAC3HDAC4HDAC1HDAC7HDAC2

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 9 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
EP-1024138-B1 PYRAZOLE DERIVATIVES ASTELLAS PHARMA INC (JP) 2007-04-25 EP 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 HDAC3 302/4885HDAC4 990/4885HDAC1 752/4885
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 HDAC3 188/4885HDAC4 739/4885HDAC1 489/4885
US-20010011090-A1 Pyrazole derivative RYR1, CACNA1E, RYR2 HDAC3 663/4885HDAC4 2208/4885HDAC1 684/4885

“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.