SCHEMBL2820163

SCHEMBL2820163

CC(C=O)Nc1[nH]c(-c2ccc(F)cc2)nc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
MAPK14 Q16539 13/20 0.47
MAPK13 O15264 3/20 0.47
GCGR P47871 3/20 0.47
MAPK12 P53778 3/20 0.47
MAPK11 Q15759 3/20 0.47
ALOX5 P09917 1/20 0.47
EGFR P00533 3/20 0.43
TNKS O95271 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
TGFBR1 P36897 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
SCHEMBL2819753 0.81 MEN1 (0.55) KMT2AMEN1MAPK14MAPK13GCGR
SCHEMBL2818304 0.79 MAPK14 (0.56) KMT2AMEN1MAPK14MAPK13GCGR
SCHEMBL2818330 0.78 MAPK14 (0.49) KMT2AMEN1MAPK14MAPK13GCGR
SCHEMBL2820812 0.76 MAPK14 (0.50) KMT2AMEN1MAPK14MAPK13GCGR
SCHEMBL2820168 0.76 MEN1 (0.47) KMT2AMEN1MAPK14MAPK13GCGR
SCHEMBL2820098 0.76 MAPK14 (0.52) KMT2AMEN1MAPK14MAPK13GCGR
Hydrochloric Acid SCHEMBL2822345 0.74 MAPK14 (0.51) KMT2AMEN1MAPK14MAPK13GCGR
Hydrochloric Acid SCHEMBL2819986 0.73 ALDH1A1 (0.48) KMT2AMEN1MAPK14MAPK13GCGR
SCHEMBL7139508 0.71 NPY5R (0.60) KMT2AMEN1MAPK14MAPK13GCGR
SCHEMBL27762173 0.71 NPY5R (0.60) KMT2AMEN1MAPK14MAPK13GCGR

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 5 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
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
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 KMT2A 1947/4885MEN1 2380/4885MAPK14 1232/4885
US-20040127527-A1 Large conductance calcium-activated k channel opener KCNN1, KCNN4, KCNN3 KMT2A 2017/4885MEN1 3427/4885MAPK14 1097/4885

“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.