SCHEMBL14906919

SCHEMBL14906919

O=C(O)/C=C\C(=O)Nc1ccccc1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 1.00
▸ HPGD P15428 3/20 1.00
▸ MEN1 O00255 1/20 1.00
▸ CYP2C9 P11712 1/20 1.00
▸ KMT2A Q03164 1/20 1.00
▸ KDM4E B2RXH2 5/20 0.83
▸ MAPT P10636 3/20 0.83
▸ PKM P14618 3/20 0.83
▸ CYP1A2 P05177 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.61
▸ LPAR2 Q9HBW0 2/20 0.60
▸ LPAR3 Q9UBY5 2/20 0.60
▸ LMNA P02545 3/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ HTT P42858 4/20 0.56
▸ RECQL P46063 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ MDM2 Q00987 1/20 0.51
▸ THRB P10828 1/20 0.51

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
SCHEMBL16035440 1.00 ALDH1A1 (1.00) ALDH1A1HPGDMEN1CYP2C9KMT2A
SCHEMBL16035441 1.00 ALDH1A1 (1.00) ALDH1A1HPGDMEN1CYP2C9KMT2A
SCHEMBL11140025 0.85 KDM4E (0.81) ALDH1A1HPGDMEN1CYP2C9KMT2A
SCHEMBL11140030 0.85 KDM4E (0.81) ALDH1A1HPGDMEN1CYP2C9KMT2A
SCHEMBL8980054 0.82 ALDH1A1 (0.70) ALDH1A1HPGDMEN1CYP2C9KMT2A
SCHEMBL11600676 0.81 ALDH1A1 (0.68) ALDH1A1HPGDMEN1CYP2C9KMT2A
SCHEMBL5177416 0.79 KDM4E (0.77) ALDH1A1HPGDMEN1CYP2C9KMT2A
SCHEMBL9314178 0.79 KDM4E (0.77) ALDH1A1HPGDMEN1CYP2C9KMT2A
SCHEMBL5176156 0.79 KDM4E (0.77) ALDH1A1HPGDMEN1CYP2C9KMT2A
SCHEMBL6546458 0.79 KDM4E (0.77) ALDH1A1HPGDMEN1CYP2C9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9873661-B2 Small molecule malarial Aldolase-TRAP enhancers and glideosome inhibitors NEW YORK UNIVERSITY (US) 2018-01-23 — — US disclosed
US-20140275088-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS THE JOHNS HOPKINS UNIVERSITY 2014-09-18 — — US disclosed
WO-2013063243-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS NEW YORK UNIVERSITY (US) 2013-05-02 — — 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 (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-20140275088-A1 SMALL MOLECULE MALARIAL ALDOLASE-TRAP ENHANCERS AND GLIDEOSOME INHIBITORS ALDOA, DERA, TALDO1 ALDH1A1 204/4885HPGD 2130/4885MEN1 1882/4885

“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.

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