SCHEMBL14656343

SCHEMBL14656343

CN1CCN(c2ccc3nc(-c4cccc(-c5nc6ccc(N7CCN(C)CC7)cc6[nH]5)c4)[nH]c3c2)CC1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.80
SMN1; SMN2 Q16637 4/20 0.80
KDM4E B2RXH2 2/20 0.80
NPC1 O15118 1/20 0.80
POLB P06746 1/20 0.80
RAB9A P51151 1/20 0.80
TOP1 P11387 3/20 0.74
TOP2A P11388 3/20 0.74
HPGD P15428 1/20 0.74
HSD17B10 Q99714 1/20 0.74
TERT O14746 4/20 0.69
MEN1 O00255 2/20 0.67
MAPT P10636 2/20 0.67
BLM P54132 2/20 0.67
KMT2A Q03164 2/20 0.67
GAA P10253 1/20 0.67
RXFP1 Q9HBX9 1/20 0.67
SLCO2B1 O94956 1/20 0.67
GLA P06280 1/20 0.67
RECQL P46063 1/20 0.67

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
SCHEMBL25138200 0.92 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2KDM4ENPC1POLB
SCHEMBL14399402 0.91 ALDH1A1 (0.80) ALDH1A1SMN1; SMN2KDM4ENPC1POLB
SCHEMBL12101904 0.90 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2KDM4ENPC1POLB
SCHEMBL26252728 0.90 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2KDM4ENPC1POLB
SCHEMBL14665474 0.90 SMN1; SMN2 (0.66) ALDH1A1SMN1; SMN2KDM4ENPC1POLB
SCHEMBL10083153 0.88 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2KDM4ENPC1POLB
SCHEMBL14091218 0.88 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2KDM4ENPC1POLB
SCHEMBL8769012 0.88 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2KDM4ENPC1POLB
SCHEMBL18973765 0.87 DGAT1 (0.74) ALDH1A1SMN1; SMN2KDM4ENPC1POLB
SCHEMBL18595033 0.86 SMN1; SMN2 (0.77) ALDH1A1SMN1; SMN2KDM4ENPC1POLB

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 5 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
EP-2736916-A1 MINOR GROOVE BINDER PHOSPHORAMIDITES AND METHODS OF USE Elitech Holding B.V. (NL) 2014-06-04 EP disclosed
US-20130030166-A1 MINOR GROOVE BINDER PHOSPHORAMIDITES AND METHODS OF USE ELITECH HOLDING B.V. 2013-01-31 US disclosed
WO-2013016321-A1 MINOR GROOVE BINDER PHOSPHORAMIDITES AND METHODS OF USE ELITECH HOLDING B.V. (NL) 2013-01-31 WO 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 3714/4885KDM4E 4345/4885

“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.