SCHEMBL14669385

SCHEMBL14669385

CN1CCN(c2ccc3[nH]c(-c4ccc5[nH]c(-c6ccc(N)c(N)c6)nc5c4)nc3c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
TOP1 P11387 3/20 0.57
TOP2A P11388 3/20 0.57
HPGD P15428 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TERT O14746 4/20 0.54
MAPT P10636 4/20 0.53
MEN1 O00255 2/20 0.53
BLM P54132 2/20 0.53
KMT2A Q03164 2/20 0.53
RECQL P46063 2/20 0.53
SLCO2B1 O94956 1/20 0.53
GLA P06280 1/20 0.53
BCL2L1 Q07817 1/20 0.53
SLCO1B3 Q9NPD5 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
SLCO1B1 Q9Y6L6 1/20 0.53
KDM4E B2RXH2 4/20 0.52
NPC1 O15118 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 0.99 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL14892811 0.94 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL13528291 0.90 SMN1; SMN2 (0.57) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL933054 0.89 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL6530109 0.87 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL14669422 0.87 PARP1 (0.44) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL14892248 0.86 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL20768152 0.86 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL19484925 0.86 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL14669420 0.85 MAPT (0.53) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2736916-B1 MINOR GROOVE BINDER PHOSPHORAMIDITES AND METHODS OF USE ELITECHGROUP INC (US) 2019-05-22 EP disclosed
US-9056887-B2 Minor groove binder phosphoramidites and methods of use ELITECH HOLDING B.V. (NL) 2015-06-16 US disclosed
US-20130030166-A1 MINOR GROOVE BINDER PHOSPHORAMIDITES AND METHODS OF USE ELITECH HOLDING B.V. 2013-01-31 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-20130030166-A1 MINOR GROOVE BINDER PHOSPHORAMIDITES AND METHODS OF USE PCNA, CD2BP2, BPGM ALDH1A1 3831/4885SMN1; SMN2 3714/4885TOP1 188/4885

“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.