SCHEMBL2821035

SCHEMBL2821035

CCc1[nH]c(-c2ccc(F)cc2)nc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 4/20 0.49
NR4A2 P43354 1/20 0.48
CYP1A2 P05177 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALOX5 P09917 2/20 0.44
MAPK13 O15264 1/20 0.44
TGFBR1 P36897 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
RNASEH1 O60930 1/20 0.43
ERCC1 P07992 1/20 0.43
FEN1 P39748 1/20 0.43
ERCC4 Q92889 1/20 0.43
CHEK2 O96017 1/20 0.42
TNKS O95271 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42

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
SCHEMBL19366154 0.85 PIN1 (0.49) PIN1CYP1A2MAPK1CASP1CYP2C19
SCHEMBL2817928 0.83 ALOX5 (0.54) MAPK1ALOX5MAPK14TP53MAPT
SCHEMBL2822343 0.80 ALOX5 (0.39) PIN1NR4A2ALOX5MAPK13TGFBR1
SCHEMBL19357016 0.78 HCAR2 (0.43) PIN1CYP1A2MAPK1CASP1CYP2C19
SCHEMBL7992159 0.74 MAPK14 (0.68) CYP1A2MAPK1CYP2C19ALOX5MAPK13
SCHEMBL2820426 0.72 TGFBR1 (0.43) NR4A2CYP1A2MAPK1CYP2C19ALOX5
SCHEMBL5552730 0.71 KDM4E (0.43) PIN1NR4A2CYP1A2MAPK1CASP1
SCHEMBL7995288 0.71 MAPK13 (0.52) PIN1NR4A2CYP1A2MAPK1CASP1
SCHEMBL7989696 0.71 ALOX5 (0.47) CYP1A2CYP2C19ALOX5MAPK13TGFBR1
SCHEMBL7991943 0.71 MAPK14 (0.58) PIN1NR4A2CYP1A2MAPK1CASP1

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-20100256165-A1 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER HONGU MITSUYA 2010-10-07 US disclosed
US-7759373-B2 Large conductance calcium-activated K channel opener MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-20 US disclosed
CN-100540538-C High Conductivity Calcium-Activated K Channel Opener TANABE SEIYAKU CO (JP) 2009-09-16 CN disclosed
CN-101519386-A High Conductivity Calcium-Activated K Channel Opener TANABE SEIYAKU CO (JP) 2009-09-02 CN disclosed
US-20040127527-A1 Large conductance calcium-activated k channel opener MITSUBISHI TANABE PHARMA CORPORATION (JP) 2004-07-01 US disclosed
EP-1432690-A2 IMIDAZOLE, THIAZOLE AND OXAZOLE DERIVATIVES AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT AND/OR PREVENTION OF POLLAKIURIA OR URINARY INCONTINENCE Tanabe Seiyaku Co., Ltd. (JP) 2004-06-30 EP disclosed
CN-1503786-A High Conductivity Calcium-Activated K Channel Opener ������ҩ��ʽ���� 2004-06-09 CN disclosed
WO-2002083111-A2 IMIDAZOLE, THIAZOLE AND OXAZOLE DERIVATIVES AND THEIR USE FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT AND/OR PREVENTION OF POLLAKIURIA OR URINARY INCONTINENCE TANABE SEIYAKU CO., LTD. (JP) 2002-10-24 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 (2 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-20100256165-A1 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER KCNN3, KCNN2, KCNN1 PIN1 4733/4885NR4A2 1295/4885CYP1A2 3632/4885
US-20040127527-A1 Large conductance calcium-activated k channel opener KCNN1, KCNN4, KCNN3 PIN1 4760/4885NR4A2 283/4885CYP1A2 3681/4885

“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.