SCHEMBL2396932

SCHEMBL2396932

O=C(NC(c1ccccc1)c1ccc(Cl)cc1)c1ncn(-c2cc(Cl)cc(Cl)c2O)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
ABCB1 P08183 1/20 0.42
TP53 P04637 1/20 0.42
ACLY P53396 1/20 0.41
POLB P06746 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
SLC6A9 P48067 4/20 0.40
SLC6A5 Q9Y345 3/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
S1PR3 Q99500 5/20 0.39
S1PR1 P21453 2/20 0.39
CNR1 P21554 1/20 0.39
CACNA2D1 P54289 1/20 0.39
CACNA1B Q00975 1/20 0.39
CACNB1 Q02641 1/20 0.39
S1PR2 O95136 1/20 0.39
S1PR4 O95977 1/20 0.39
HSD17B2 P37059 1/20 0.38

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
SCHEMBL2396935 0.88 MAPT (0.47) MAPTABCB1TP53POLBSMN1; SMN2
SCHEMBL2365024 0.84 MAPT (0.51) MAPTABCB1TP53POLBSMN1; SMN2
SCHEMBL7934076 0.70 MAPT (0.41) MAPTTP53ACLYPOLBSMN1; SMN2
SCHEMBL2400241 0.69 MAPT (0.52) MAPTTP53POLBSMN1; SMN2
SCHEMBL2396967 0.67 EPHX2 (0.48) MAPTTP53POLBSMN1; SMN2ALDH1A1
SCHEMBL30530178 0.67 SLC6A9 (0.71) MAPTSMN1; SMN2SLC6A9SLC6A5ALDH1A1
SCHEMBL3238013 0.66 ALDH1A1 (0.46) MAPTSMN1; SMN2ALDH1A1LMNAS1PR3
SCHEMBL2397135 0.66 TP53 (0.46) MAPTTP53POLBSMN1; SMN2ALDH1A1
SCHEMBL28466269 0.66 HPGDS (0.72) MAPTSMN1; SMN2SLC6A9SLC6A5ALDH1A1
SCHEMBL28466273 0.66 SLC6A9 (0.68) MAPTSMN1; SMN2SLC6A9SLC6A5LMNA

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 1 patent. 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 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 (1 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-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES CFTR, PKD1, PKD2 MAPT 4644/4885ABCB1 24/4885TP53 919/4885

“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.