SCHEMBL20834824

SCHEMBL20834824

Cc1nc(N)nc(N/N=C/c2ccc(O)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.52
▸ MEN1 O00255 8/20 0.52
▸ KMT2A Q03164 8/20 0.52
▸ MAPT P10636 6/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ HTT P42858 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ CTH P32929 1/20 0.49
▸ POLB P06746 4/20 0.46
▸ HPGD P15428 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ KDM4E B2RXH2 3/20 0.45
▸ LRRK2 Q5S007 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ MCL1 Q07820 1/20 0.44
▸ RAD52 P43351 2/20 0.43
▸ BLM P54132 2/20 0.43
▸ PAX8 Q06710 1/20 0.43

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
SCHEMBL19434684 0.90 MAPT (0.56) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL19434681 0.90 MAPT (0.56) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL21882639 0.82 MAPT (0.49) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL17560761 0.80 KMT2A (0.69) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL17560759 0.80 KMT2A (0.69) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL16224338 0.76 SMN1; SMN2 (0.57) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL17581319 0.76 SMN1; SMN2 (0.57) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL17560913 0.74 LMNA (0.66) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL17560916 0.74 LMNA (0.66) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL19533016 0.74 MAPT (0.66) ALDH1A1MEN1KMT2AMAPTRAB9A

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-20190084941-A1 COMPOUNDS AND METHODS OF TREATING INFECTIONS NEOCULI PTY LTD (AU) 2019-03-21 — — US disclosed
US-9327005-B1 Compositions and methods for improved energy metabolism VDF FUTURECEUTICALS, INC. (US) 2016-05-03 — — 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-20190084941-A1 COMPOUNDS AND METHODS OF TREATING INFECTIONS ELANE, IL1A, IL1B ALDH1A1 1016/4885MEN1 493/4885KMT2A 3325/4885

“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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