SCHEMBL20644396

SCHEMBL20644396

O=C(Nc1ccc(N2CCN(c3ccc(Br)cc3)CC2)cc1)Oc1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.78
▸ MAPT P10636 5/20 0.78
▸ ALDH1A1 P00352 4/20 0.78
▸ GAA P10253 3/20 0.78
▸ USP2 O75604 2/20 0.78
▸ KDM4E B2RXH2 2/20 0.78
▸ NPSR1 Q6W5P4 2/20 0.76
▸ RAD51 Q06609 1/20 0.54
▸ FAAH O00519 1/20 0.53
▸ TRPV1 Q8NER1 1/20 0.53
▸ MEN1 O00255 2/20 0.51
▸ THRB P10828 1/20 0.51
▸ GFER P55789 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ KDR P35968 2/20 0.51
▸ FLT1 P17948 1/20 0.51
▸ FLT3 P36888 1/20 0.51
▸ LMNA P02545 2/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50

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
SCHEMBL20013063 0.92 MAPT (0.86) KMT2AMAPTALDH1A1GAAUSP2
SCHEMBL3898025 0.88 GAA (1.00) KMT2AMAPTALDH1A1GAAUSP2
SCHEMBL11173671 0.87 ALDH1A1 (0.70) KMT2AMAPTALDH1A1GAAUSP2
SCHEMBL12240583 0.86 GAA (0.81) KMT2AMAPTALDH1A1GAAUSP2
SCHEMBL3835741 0.86 GAA (1.00) KMT2AMAPTALDH1A1GAAUSP2
SCHEMBL28151038 0.86 ALDH1A1 (0.78) KMT2AMAPTALDH1A1GAAUSP2
Hydrochloric Acid SCHEMBL23040411 0.86 MAPT (0.78) KMT2AMAPTALDH1A1GAAUSP2
SCHEMBL2543995 0.85 GAA (0.79) KMT2AMAPTALDH1A1GAAUSP2
SCHEMBL3965662 0.85 GAA (0.79) KMT2AMAPTALDH1A1GAAUSP2
SCHEMBL13114782 0.82 MAPT (0.71) KMT2AMAPTALDH1A1GAAUSP2

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
EP-3397629-B1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598 LTD (KY) 2023-04-19 — — EP disclosed
US-10464922-B2 Metalloenzyme inhibitor compounds NQP 1598, LTD. (US) 2019-11-05 — — US disclosed
US-20190016700-A1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598, LTD. (KY) 2019-01-17 — — 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-20190016700-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO KMT2A 1886/4885MAPT 2507/4885ALDH1A1 289/4885
US-10464922-B2 Metalloenzyme inhibitor compounds MMEL1, GPX1, MPO KMT2A 1886/4885MAPT 2507/4885ALDH1A1 289/4885

“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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