SCHEMBL7513770

SCHEMBL7513770

CCNCCCCCNCCCCNCC

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.87
CYP1A2 P05177 2/20 0.87
MEN1 O00255 2/20 0.80
KMT2A Q03164 2/20 0.80
GLA P06280 1/20 0.80
KDM1A O60341 5/20 0.65
TSHR P16473 2/20 0.65
ALDH1A1 P00352 1/20 0.59
SAT1 P21673 3/20 0.55
TP53 P04637 1/20 0.47
CA12 O43570 1/20 0.42
F13A1 P00488 1/20 0.42
CA2 P00918 1/20 0.42
ALOX15 P16050 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA5A P35218 1/20 0.42
THPO P40225 1/20 0.42
CASP2 P42575 1/20 0.42
CA7 P43166 1/20 0.42

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
SCHEMBL7097560 1.00 CYP2C19 (0.87) CYP2C19CYP1A2MEN1KMT2AGLA
SCHEMBL7097471 1.00 CYP2C19 (0.87) CYP2C19CYP1A2MEN1KMT2AGLA
SCHEMBL7091884 1.00 CYP2C19 (0.87) CYP2C19CYP1A2MEN1KMT2AGLA
SCHEMBL7096788 1.00 CYP2C19 (0.87) CYP2C19CYP1A2MEN1KMT2AGLA
SCHEMBL7095064 1.00 CYP2C19 (0.87) CYP2C19CYP1A2MEN1KMT2AGLA
SCHEMBL6705603 1.00 CYP2C19 (0.87) CYP2C19CYP1A2MEN1KMT2AGLA
SCHEMBL7092406 1.00 CYP2C19 (0.87) CYP2C19CYP1A2MEN1KMT2AGLA
Hydrochloric Acid SCHEMBL7513333 0.97 CYP2C19 (0.81) CYP2C19CYP1A2MEN1KMT2AGLA
Hydrochloric Acid SCHEMBL7520765 0.97 CYP2C19 (0.81) CYP2C19CYP1A2MEN1KMT2AGLA
SCHEMBL10045209 0.97 CYP2C19 (0.93) CYP2C19CYP1A2MEN1KMT2AGLA

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-20020045780-A1 Biologically active spermidine analogues, pharmaceutical compositions and methods of treatment BERGERON RAYMOND J (US) 2002-04-18 US disclosed
US-6235794-B1 ANTICANCER AGENT UNIVERSITY OF FLORIDA 2001-05-22 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-20020045780-A1 Biologically active spermidine analogues, pharmaceutical compositions and methods of treatment SRM, SLC7A1, CATSPER1 CYP2C19 1807/4885CYP1A2 3146/4885MEN1 1341/4885

“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.