SCHEMBL24246741

SCHEMBL24246741

Nc1ccc(-c2nc3ccc(Cc4ccc5nc(C6CCC(N)CC6)[nH]c5c4)cc3[nH]2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 1/20 0.70
▸ MAPT P10636 7/20 0.52
▸ SMN1; SMN2 Q16637 7/20 0.52
▸ KDM4E B2RXH2 6/20 0.52
▸ ALDH1A1 P00352 6/20 0.52
▸ NPC1 O15118 6/20 0.52
▸ MEN1 O00255 5/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ RAB9A P51151 5/20 0.52
▸ GFER P55789 4/20 0.52
▸ GLA P06280 3/20 0.52
▸ GAA P10253 3/20 0.52
▸ RECQL P46063 2/20 0.52
▸ RXFP1 Q9HBX9 2/20 0.52
▸ HPGD P15428 5/20 0.50
▸ POLB P06746 4/20 0.50
▸ NFKB1 P19838 3/20 0.50
▸ HSD17B10 Q99714 3/20 0.50
▸ PKM P14618 2/20 0.50
▸ CACNA1B Q00975 1/20 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
SCHEMBL23119357 0.83 NT5E (1.00) NT5EMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL21887627 0.81 NT5E (0.89) NT5EMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL21096315 0.78 NT5E (0.86) NT5EMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL29386878 0.76 NT5E (0.78) NT5EMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL16273449 0.76 NT5E (0.78) NT5EMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL7033846 0.74 MAPT (0.82) MAPTSMN1; SMN2KDM4EALDH1A1NPC1
SCHEMBL15443953 0.71 MEN1 (0.87) NT5EMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL363703 0.71 MEN1 (1.00) NT5EMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL15443951 0.71 MEN1 (0.79) NT5EMAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL23119341 0.70 NT5E (0.72) NT5EMAPTSMN1; SMN2KDM4EALDH1A1

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-11246857-B2 Anti-fungal inhibitors UNIV JOHNS HOPKINS (US) 2022-02-15 — — 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-11246857-B2 Anti-fungal inhibitors ERG28, DPM1, HIF1AN NT5E 1104/4885MAPT 2104/4885SMN1; SMN2 4735/4885

“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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