SCHEMBL2818116

SCHEMBL2818116

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.58
MAPK13 O15264 2/20 0.50
MAPK12 P53778 2/20 0.50
MAPK11 Q15759 2/20 0.50
MAPK14 Q16539 2/20 0.50
RAF1 P04049 1/20 0.50
KMT2A Q03164 5/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 3/20 0.49
GLA P06280 2/20 0.49
GAA P10253 2/20 0.49
GCGR P47871 1/20 0.49
MEN1 O00255 4/20 0.48
TP53 P04637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ADORA3 P0DMS8 2/20 0.47
POLB P06746 1/20 0.47
FGFR1 P11362 1/20 0.46
FGFR2 P21802 1/20 0.46

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
SCHEMBL2820812 0.87 MAPK14 (0.50) KDM4EMAPK13MAPK12MAPK11MAPK14
SCHEMBL24859017 0.76 KMT2A (0.59) KDM4ERAF1KMT2AALDH1A1HPGD
SCHEMBL4551617 0.75 KDM4E (0.67) KDM4EMAPK13MAPK12MAPK11MAPK14
SCHEMBL20445311 0.75 ALDH1A1 (0.56) KDM4EKMT2AALDH1A1HPGDGLA
SCHEMBL3141271 0.74 NPY5R (0.71) KDM4EMAPK13MAPK12MAPK11MAPK14
SCHEMBL3133115 0.74 NPY5R (0.71) KDM4EMAPK13MAPK12MAPK11MAPK14
Hydrochloric Acid SCHEMBL23736198 0.74 ALDH1A1 (0.55) KDM4EKMT2AALDH1A1HPGDGLA
Hydrochloric Acid SCHEMBL2819986 0.73 ALDH1A1 (0.48) KDM4EMAPK13MAPK12MAPK11MAPK14
SCHEMBL24859032 0.73 GSK3B (0.53) MAPK14HPGDADORA3SMN1; SMN2ADORA2A
SCHEMBL2127491 0.72 MAPK13 (0.85) MAPK13MAPK12MAPK11MAPK14RAF1

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 KDM4E 801/4885MAPK13 1596/4885MAPK12 1815/4885
US-20040127527-A1 Large conductance calcium-activated k channel opener KCNN1, KCNN4, KCNN3 KDM4E 687/4885MAPK13 1552/4885MAPK12 1788/4885

“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.