SCHEMBL1491302

SCHEMBL1491302

Cc1ccc(S(=O)(=O)O)c2ccncc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.38
ESR2 Q92731 1/20 0.38
COMT P21964 1/20 0.38
NAPRT Q6XQN6 1/20 0.38
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
ALOX15 P16050 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TTR P02766 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HIPK2 Q9H2X6 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
NR2F2 P24468 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TET2 Q6N021 1/20 0.35
CSNK1A1 P48729 1/20 0.35
CSNK1D P48730 1/20 0.35

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
SCHEMBL30842108 0.87 NAPRT (0.44) COMTNAPRTALDH1A1CYP1A2ALOX15
SCHEMBL20836182 0.87 NAPRT (0.44) COMTNAPRTALDH1A1CYP1A2ALOX15
SCHEMBL8031733 0.85 NAPRT (0.42) COMTNAPRTALDH1A1CYP1A2ALOX15
SCHEMBL29469844 0.83 CSNK1A1 (0.38) ALDH1A1SIRT3TDP1HIPK2SLC22A12
SCHEMBL16508188 0.79 EP300 (0.56) POLBCOMTNAPRTALDH1A1CYP1A2
SCHEMBL1491306 0.79 HASPIN (0.37) COMTNAPRTALDH1A1CYP1A2ALOX15
SCHEMBL812489 0.77 CYP1A2 (0.46) POLBRECQLALDH1A1CYP1A2HIF1A
SCHEMBL5355239 0.76 AXL (0.51) COMTNAPRTALDH1A1CYP1A2ALOX15
SCHEMBL30987405 0.76 AXL (0.51) COMTNAPRTALDH1A1CYP1A2ALOX15
SCHEMBL2563881 0.76 TDP1 (0.46) POLBRECQLESR2NAPRTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102316737-A Compounds for RHO kinase inhibition and for improving learning and memory AMNESTIX INC 2012-01-11 CN disclosed
US-20110294789-A1 COMPOUNDS FOR RHO KINASE INHIBITION AND FOR IMPROVING LEARNING AND MEMORY AMNESTIX, INC. 2011-12-01 US disclosed
US-20110294789-A1 COMPOUNDS FOR RHO KINASE INHIBITION AND FOR IMPROVING LEARNING AND MEMORY AMNESTIX, INC. 2011-12-01 US disclosed
EP-2296472-A1 COMPOUNDS FOR RHO KINASE INHIBITION AND FOR IMPROVING LEARNING AND MEMORY Amnestix, Inc. (US) 2011-03-23 EP disclosed
WO-2009151845-A9 COMPOUNDS FOR RHO KINASE INHIBITION AND FOR IMPROVING LEARNING AND MEMORY AMNESTIX, INC. (US) 2010-01-28 WO disclosed
WO-2009151845-A1 COMPOUNDS FOR RHO KINASE INHIBITION AND FOR IMPROVING LEARNING AND MEMORY AMNESTIX, INC. (US) 2009-12-17 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-20110294789-A1 COMPOUNDS FOR RHO KINASE INHIBITION AND FOR IMPROVING LEARNING AND MEMORY ROCK1, IRAK1, ROCK2 POLB 4324/4885RECQL 2720/4885ESR2 3398/4885

“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.