SCHEMBL2397613

SCHEMBL2397613

CC(C)c1ccc(CN(Cc2cccnc2)C(=O)c2ncn(-c3cc(Cl)c(O)c(Cl)c3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALKBH5 Q6P6C2 1/20 0.41
HSD17B13 Q7Z5P4 1/20 0.38
ALDH1A1 P00352 6/20 0.38
MAPT P10636 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
GPBAR1 Q8TDU6 2/20 0.37
PDK1 Q15118 2/20 0.37
LMNA P02545 1/20 0.37
TBXAS1 P24557 2/20 0.36
NR3C1 P04150 1/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RORC P51449 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
SCHEMBL2218692 0.91 HDAC1 (0.42) HSD17B13MAPTHDAC1HDAC6SMN1; SMN2
SCHEMBL2399030 0.91 ALKBH5 (0.44) ALKBH5HSD17B13ALDH1A1MAPTTRPM8
SCHEMBL2398510 0.89 ALKBH5 (0.40) ALKBH5HSD17B13ALDH1A1MAPTTRPM8
SCHEMBL2398024 0.88 NOTUM (0.41) ALKBH5HSD17B13ALDH1A1MAPTTRPM8
SCHEMBL2398428 0.87 NOTUM (0.39) MAPTTRPM8LMNAHDAC1HDAC6
SCHEMBL2397723 0.86 ALKBH5 (0.42) ALKBH5HSD17B13ALDH1A1MAPTTRPM8
SCHEMBL2399145 0.84 HSD17B13 (0.38) ALKBH5HSD17B13ALDH1A1MAPTTRPM8
SCHEMBL2397119 0.83 NOTUM (0.36) MAPTHDAC1HDAC6
SCHEMBL2396944 0.83 GRIN2B (0.40) HSD17B13MAPTTRPM8GPBAR1
SCHEMBL2214594 0.81 NOTUM (0.39) HSD17B13MAPTGPBAR1HDAC6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2011-09-29 US claimed
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2011-09-29 US disclosed
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2011-09-29 US disclosed
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2011-09-29 US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 US 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-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 ALKBH5 4769/4885HSD17B13 924/4885ALDH1A1 2115/4885
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES CFTR, PKD1, PKD2 ALKBH5 4555/4885HSD17B13 2192/4885ALDH1A1 2134/4885

“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.