SCHEMBL4304705

SCHEMBL4304705

CN(C)c1ncc(C(N)=S)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 2/20 0.55
ALOX15 P16050 1/20 0.55
HSD17B10 Q99714 1/20 0.55
GRM5 P41594 2/20 0.37
BAZ2B Q9UIF8 2/20 0.35
POLB P06746 2/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
APP P05067 1/20 0.35
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KCNH2 Q12809 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32

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
SCHEMBL29337499 0.78 ALDH1A1 (0.55) KDM4EALDH1A1ALOX15HSD17B10GRM5
SCHEMBL4771472 0.78 KDM4E (0.67) KDM4EALDH1A1ALOX15HSD17B10GRM5
Hydrochloric Acid SCHEMBL22042710 0.77 ALDH1A1 (0.53) KDM4EALDH1A1ALOX15HSD17B10GRM5
SCHEMBL4299808 0.74 CYP1A2 (0.40) KDM4EPOLBCYP1A2APPLMNA
SCHEMBL23851919 0.72 HDAC1 (0.46) KDM4EALDH1A1BAZ2BPOLBCYP1A2
SCHEMBL185994 0.71 ALDH1A1 (1.00) KDM4EALDH1A1ALOX15HSD17B10GRM5
SCHEMBL23407776 0.71 KDM4E (0.69) KDM4EALDH1A1ALOX15HSD17B10GRM5
SCHEMBL2822924 0.70 BAZ2B (0.35) KDM4EBAZ2BPOLBCYP1A2LMNA
SCHEMBL28553965 0.70 HSD17B10 (0.55) KDM4EALDH1A1ALOX15HSD17B10GRM5
SCHEMBL4926690 0.69 HSD17B10 (0.54) KDM4EALDH1A1ALOX15HSD17B10GRM5

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-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-7759373-B2 Large conductance calcium-activated K channel opener MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-07-20 US disclosed
US-20090270363-A1 2-Aryl- and 2-Heteroarylthiazolyl Compounds, Methods for Their Preparation and Use Thereof WYETH (US) 2009-10-29 US disclosed
US-20090270363-A1 2-Aryl- and 2-Heteroarylthiazolyl Compounds, Methods for Their Preparation and Use Thereof WYETH (US) 2009-10-29 US disclosed
US-20090270363-A1 2-Aryl- and 2-Heteroarylthiazolyl Compounds, Methods for Their Preparation and Use Thereof WYETH (US) 2009-10-29 US disclosed
WO-2009120826-A1 2-ARYL- AND 2-HETEROARYLTHIAZOLYL COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF WYETH (US) 2009-10-01 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 801/4885ALDH1A1 4600/4885ALOX15 3045/4885
US-20090270363-A1 2-Aryl- and 2-Heteroarylthiazolyl Compounds, Methods for Their Preparation and Use Thereof SEC63, SEC62, SEC22B KDM4E 3799/4885ALDH1A1 2705/4885ALOX15 3018/4885

“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.