SCHEMBL13528291

SCHEMBL13528291

Cc1cc(-c2nc3cc(N4CCN(C)CC4)ccc3[nH]2)ccc1N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.57
ALDH1A1 P00352 7/20 0.57
KDM4E B2RXH2 6/20 0.57
MAPT P10636 5/20 0.57
NPC1 O15118 4/20 0.57
RAB9A P51151 4/20 0.57
PKM P14618 2/20 0.57
TOP1 P11387 3/20 0.56
TOP2A P11388 3/20 0.56
HPGD P15428 2/20 0.56
HSD17B10 Q99714 1/20 0.56
TERT O14746 4/20 0.53
MEN1 O00255 2/20 0.52
BLM P54132 2/20 0.52
KMT2A Q03164 2/20 0.52
SLCO2B1 O94956 1/20 0.52
GLA P06280 1/20 0.52
RECQL P46063 1/20 0.52
BCL2L1 Q07817 1/20 0.52
SLCO1B3 Q9NPD5 1/20 0.52

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
SCHEMBL1551571 0.91 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1KDM4EMAPTNPC1
SCHEMBL14669385 0.90 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1KDM4EMAPTNPC1
SCHEMBL14892811 0.87 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1KDM4EMAPTNPC1
SCHEMBL19484925 0.85 ALDH1A1 (0.63) SMN1; SMN2ALDH1A1KDM4EMAPTNPC1
SCHEMBL6530109 0.84 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1KDM4EMAPTNPC1
SCHEMBL14665474 0.83 SMN1; SMN2 (0.66) SMN1; SMN2ALDH1A1KDM4EMAPTNPC1
SCHEMBL1552598 0.83 MAPT (0.54) SMN1; SMN2ALDH1A1KDM4EMAPTNPC1
SCHEMBL20768152 0.82 ALDH1A1 (0.63) SMN1; SMN2ALDH1A1KDM4EMAPTNPC1
SCHEMBL14669420 0.82 MAPT (0.53) SMN1; SMN2ALDH1A1KDM4EMAPTNPC1
SCHEMBL6587643 0.82 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1KDM4EMAPTNPC1

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-8796277-B2 Radioprotector compounds and related methods PETER MACCALLUM CANCER INSTITUTE (AU) 2014-08-05 US disclosed
US-20100022557-A1 RADIOPROTECTOR COMPOUNDS AND RELATED METHODS PETER MACCALLUM CANCER INSTITUTE (AU) 2010-01-28 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-20100022557-A1 RADIOPROTECTOR COMPOUNDS AND RELATED METHODS RAD50, ERCC2, XRCC6 SMN1; SMN2 3752/4885ALDH1A1 905/4885KDM4E 2584/4885

“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.