SCHEMBL2398024

SCHEMBL2398024

O=C(c1ncn(-c2cc(Cl)c(O)c(Cl)c2)n1)N(Cc1cccnc1)Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.40
HSD17B13 Q7Z5P4 1/20 0.39
ALKBH5 Q6P6C2 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
PDK1 Q15118 2/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
PKM P14618 1/20 0.36
NAMPT P43490 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL2399030 0.92 ALKBH5 (0.44) ALDH1A1MAPTMAPK1HSD17B13ALKBH5
SCHEMBL2399003 0.89 CYP2C19 (0.48) NOTUMMAPTCYP2C19HSD17B13
SCHEMBL2397613 0.88 ALKBH5 (0.41) ALDH1A1MAPTHSD17B13ALKBH5TRPM8
SCHEMBL2398510 0.88 ALKBH5 (0.40) ALDH1A1MAPTGAAMAPK1HSD17B13
SCHEMBL2397723 0.87 ALKBH5 (0.42) ALDH1A1MAPTGAAHSD17B13ALKBH5
SCHEMBL2396944 0.87 GRIN2B (0.40) MAPTHSD17B13TRPM8GPBAR1MEN1
SCHEMBL2215745 0.85 NOTUM (0.48) NOTUMCYP2C19
SCHEMBL2399145 0.85 HSD17B13 (0.38) NOTUMALDH1A1MAPTGAAMAPK1
SCHEMBL2399236 0.85 GRM2 (0.42) HSD17B13TRPM8GPBAR1PDK1
SCHEMBL2399545 0.82 NOTUM (0.43) NOTUMCYP2C19KMT2A

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 NOTUM 3691/4885ALDH1A1 2115/4885MAPT 4877/4885
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES CFTR, PKD1, PKD2 NOTUM 3951/4885ALDH1A1 2134/4885MAPT 4644/4885

“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.