SCHEMBL14906643

SCHEMBL14906643

CN1CCN(c2ccc3nc(-c4ccc5nc(-c6ccc[nH]c6=O)[nH]c5c4)[nH]c3c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.64
▸ SMN1; SMN2 Q16637 4/20 0.64
▸ TOP1 P11387 3/20 0.64
▸ TOP2A P11388 3/20 0.64
▸ HPGD P15428 1/20 0.64
▸ HSD17B10 Q99714 1/20 0.64
▸ MEN1 O00255 2/20 0.59
▸ MAPT P10636 2/20 0.59
▸ BLM P54132 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ SLCO2B1 O94956 1/20 0.59
▸ GLA P06280 1/20 0.59
▸ RECQL P46063 1/20 0.59
▸ BCL2L1 Q07817 1/20 0.59
▸ SLCO1B3 Q9NPD5 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ SLCO1B1 Q9Y6L6 1/20 0.59
▸ KDM4E B2RXH2 2/20 0.58
▸ TERT O14746 2/20 0.58
▸ NPC1 O15118 2/20 0.58

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
SCHEMBL14892739 0.90 NPC1 (0.52) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL26252722 0.85 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL30580360 0.85 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL14399402 0.82 ALDH1A1 (0.80) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL14656343 0.80 ALDH1A1 (0.80) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL18595033 0.80 SMN1; SMN2 (0.77) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL14669409 0.79 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
Hoechst 33258 SCHEMBL29376223 0.79 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL14665658 0.79 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
Hoechst 33258 SCHEMBL74554 0.79 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE46943-E1 Radioprotector compounds and methods PETER MACCALLUM CANCER INSTITUTE (AU) 2018-07-10 — — US disclosed
EP-2556058-B1 RADIOPROTECTOR COMPOUNDS AND METHODS PETER MACCALLUM CANCER INST (AU) 2017-06-14 — — EP disclosed
US-8999993-B2 Radioprotector compounds and methods PETER MACCALLUM CANCER INSTITUTE (AU) 2015-04-07 — — US disclosed
US-20130109678-A1 RADIOPROTECTOR COMPOUNDS AND METHODS PETER MACCALLUM CANCER INSTITUTE (AU) 2013-05-02 — — 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-20130109678-A1 RADIOPROTECTOR COMPOUNDS AND METHODS NR1H2, NR1H3, NR1I3 ALDH1A1 1707/4885SMN1; SMN2 3840/4885TOP1 132/4885

“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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