SCHEMBL14660404

SCHEMBL14660404

COc1ccc(C(=O)CC(=O)Cl)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
ALDH1A1 P00352 4/20 0.60
GAA P10253 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
TSHR P16473 2/20 0.59
CTNNB1 P35222 2/20 0.59
WNT3A P56704 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA4 P22748 1/20 0.58
CA6 P23280 1/20 0.58
CA7 P43166 1/20 0.58
TPMT P51580 1/20 0.58

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
SCHEMBL1659363 0.89 MAPT (0.71) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL4438295 0.84 CA12 (0.65) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL7380780 0.84 MAPT (0.61) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL11045656 0.84 MAPT (0.61) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL1322947 0.84 MAPT (0.61) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL30629388 0.84 CA12 (0.65) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL4713028 0.82 TSHR (0.63) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL10455919 0.82 CTNNB1 (0.83) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL28881824 0.81 MEN1 (0.71) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL29668496 0.81 MEN1 (0.71) MAPTALDH1A1GAAMEN1KMT2A

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-9422231-B2 Method for inhibiting Trypanosoma cruzi HOWARD UNIVERSITY (US) 2016-08-23 US disclosed
US-20150073177-A1 METHOD FOR INHIBITING TRYPANOSOMA CRUZI HOWARD UNIVERRSITY (US) 2015-03-12 US disclosed
US-20140336187-A1 METHODS FOR TREATING LEISHMANIASIS HOWARD UNIVERSITY 2014-11-13 US disclosed
WO-2013074930-A1 METHODS FOR TREATING LEISHMANIASIS HOWARD UNIVERSITY (US) 2013-05-23 WO disclosed
WO-2013016661-A1 METHOD FOR INHIBITING TRYPANSOMA CRUZI HOWARD UNIVERSITY (US) 2013-01-31 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-20140336187-A1 METHODS FOR TREATING LEISHMANIASIS LSS, CYP51A1, NQO1 MAPT 4752/4885ALDH1A1 911/4885GAA 28/4885
US-20150073177-A1 METHOD FOR INHIBITING TRYPANOSOMA CRUZI PCNA, NQO1, NQO2 MAPT 4851/4885ALDH1A1 1806/4885GAA 271/4885

“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.