SCHEMBL16035626

SCHEMBL16035626

O=C(N/N=C\c1ccc[nH]1)c1ccc(O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 1.00
▸ MEN1 O00255 3/20 1.00
▸ KMT2A Q03164 3/20 1.00
▸ POLB P06746 2/20 1.00
▸ KDM4E B2RXH2 2/20 1.00
▸ RAB9A P51151 5/20 0.64
▸ LMNA P02545 2/20 0.64
▸ GAA P10253 1/20 0.64
▸ RECQL P46063 1/20 0.64
▸ NPC1 O15118 4/20 0.62
▸ ALDH1A1 P00352 1/20 0.62
▸ NFKB1 P19838 1/20 0.62
▸ NFKB2 Q00653 1/20 0.62
▸ RELA Q04206 1/20 0.62
▸ ATM Q13315 1/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ CYP1A2 P05177 1/20 0.58
▸ PAX8 Q06710 1/20 0.57
▸ TAAR1 Q96RJ0 1/20 0.57

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
SCHEMBL14907039 1.00 MAPT (1.00) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL16035627 1.00 MAPT (1.00) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL31005089 0.88 MAPT (0.78) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL19472642 0.78 MEN1 (1.00) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL9655953 0.78 MAPT (0.63) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL10335322 0.78 MAPT (0.63) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL9655956 0.78 MAPT (0.63) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL19283313 0.76 ESRRG (0.79) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL19283311 0.76 ESRRG (0.79) MAPTMEN1KMT2APOLBKDM4E
SCHEMBL1129157 0.75 RAB9A (0.77) MAPTMEN1KMT2AKDM4ERAB9A

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 2 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

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 MAPT 578/4885MEN1 1882/4885KMT2A 929/4885

“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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