SCHEMBL14665474

SCHEMBL14665474

CN1CCN(c2ccc3[nH]c(-c4cccc(-c5nc6cc(N7CCN(C)CC7)ccc6[nH]5)c4)nc3c2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.66
ALDH1A1 P00352 4/20 0.66
KDM4E B2RXH2 3/20 0.66
NPC1 O15118 2/20 0.66
RAB9A P51151 2/20 0.66
POLB P06746 1/20 0.66
TOP1 P11387 3/20 0.60
TOP2A P11388 3/20 0.60
HPGD P15428 1/20 0.60
HSD17B10 Q99714 1/20 0.60
TERT O14746 3/20 0.57
MEN1 O00255 2/20 0.55
MAPT P10636 2/20 0.55
BLM P54132 2/20 0.55
KMT2A Q03164 2/20 0.55
GAA P10253 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
SLCO2B1 O94956 1/20 0.55
GLA P06280 1/20 0.55
RECQL P46063 1/20 0.55

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
SCHEMBL20768152 0.91 ALDH1A1 (0.63) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL6530109 0.91 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL14656343 0.90 ALDH1A1 (0.80) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL7238747 0.89 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL19484925 0.86 ALDH1A1 (0.63) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL8769012 0.86 ALDH1A1 (0.72) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL12833888 0.85 FGFR1 (0.64) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL14892361 0.85 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL1551571 0.85 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL340370 0.85 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1KDM4ENPC1RAB9A

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-9056887-B2 Minor groove binder phosphoramidites and methods of use ELITECH HOLDING B.V. (NL) 2015-06-16 US 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
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 SMN1; SMN2 3714/4885ALDH1A1 3831/4885KDM4E 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.