SCHEMBL10045115

SCHEMBL10045115

CCCCNCCCCNCCCCNCCCNCC

nearest known ligand 0.82

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.82
TSHR P16473 2/20 0.82
CYP1A2 P05177 1/20 0.82
MEN1 O00255 1/20 0.77
GLA P06280 1/20 0.77
KMT2A Q03164 1/20 0.77
ALDH1A1 P00352 1/20 0.67
KDM1A O60341 5/20 0.56
SAT1 P21673 3/20 0.54
ADH1B P00325 1/20 0.48
ADH1C P00326 1/20 0.48
ADH1A P07327 1/20 0.48
ADH7 P40394 1/20 0.48
S1PR2 O95136 5/20 0.41
S1PR4 O95977 5/20 0.41
S1PR1 P21453 5/20 0.41
S1PR3 Q99500 5/20 0.41
S1PR5 Q9H228 1/20 0.41
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL7204979 1.00 CYP2C19 (0.82) CYP2C19TSHRCYP1A2MEN1GLA
SCHEMBL5319718 1.00 CYP2C19 (0.82) CYP2C19TSHRCYP1A2MEN1GLA
SCHEMBL5847137 0.97 TSHR (0.88) CYP2C19TSHRCYP1A2MEN1GLA
SCHEMBL20922334 0.97 TSHR (0.88) CYP2C19TSHRCYP1A2MEN1GLA
SCHEMBL13895399 0.97 TSHR (0.88) CYP2C19TSHRCYP1A2MEN1GLA
SCHEMBL4166725 0.97 TSHR (0.88) CYP2C19TSHRCYP1A2MEN1GLA
SCHEMBL10045106 0.97 TSHR (0.88) CYP2C19TSHRCYP1A2MEN1GLA
SCHEMBL24475235 0.94 CYP2C19 (0.82) CYP2C19TSHRCYP1A2MEN1GLA
SCHEMBL21132324 0.94 TSHR (0.82) CYP2C19TSHRCYP1A2MEN1GLA
SCHEMBL7207781 0.94 TSHR (0.82) CYP2C19TSHRCYP1A2MEN1GLA

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
US-8148577-B2 Polyamines useful as anti-parasitic and anti-cancer therapeutics and as lysine-specific demethylase inhibitors THE JOHNS HOPKINS UNIVERSITY (US) 2012-04-03 US disclosed
US-20100273745-A1 POLYAMINES USEFUL AS ANTI-PARASITIC AND ANTI-CANCER THERAPEUTICS AND AS LYSINE-SPECIFIC DEMETHYLASE INHIBITORS THE JOHNS HOPKINS UNIVERSITY (US) 2010-10-28 US disclosed
US-20070208082-A1 POLYAMINES USEFUL AS ANTI-PARASITIC AND ANTI-CANCER THERAPEUTICS AND AS LYSINE-SPECIFIC DEMETHYLASE INHIBITORS JOHN HOPKINS UNIVERSITY (US) 2007-09-06 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 (2 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-20070208082-A1 POLYAMINES USEFUL AS ANTI-PARASITIC AND ANTI-CANCER THERAPEUTICS AND AS LYSINE-SPECIFIC DEMETHYLASE INHIBITORS KDM1A, JMJD6, SRM CYP2C19 4039/4885TSHR 3976/4885CYP1A2 3343/4885
US-20100273745-A1 POLYAMINES USEFUL AS ANTI-PARASITIC AND ANTI-CANCER THERAPEUTICS AND AS LYSINE-SPECIFIC DEMETHYLASE INHIBITORS KDM1A, JMJD6, SRM CYP2C19 4039/4885TSHR 3976/4885CYP1A2 3343/4885

“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.