SCHEMBL10045168

SCHEMBL10045168

CCNCCCNCCCCNCC(CC)CC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.64
CYP1A2 P05177 1/20 0.64
MEN1 O00255 1/20 0.59
GLA P06280 1/20 0.59
KMT2A Q03164 1/20 0.59
KDM1A O60341 5/20 0.46
SAT1 P21673 3/20 0.45
TSHR P16473 3/20 0.44
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 1/20 0.41
GRIN1 Q05586 2/20 0.32
GRIN2A Q12879 2/20 0.32
ANPEP P15144 1/20 0.32
ERAP2 Q6P179 1/20 0.32
PKM P14618 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31

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
SCHEMBL10045184 1.00 CYP2C19 (0.64) CYP2C19CYP1A2MEN1GLAKMT2A
SCHEMBL10045135 0.98 CYP2C19 (0.62) CYP2C19CYP1A2MEN1GLAKMT2A
SCHEMBL20922169 0.93 CYP2C19 (0.59) CYP2C19CYP1A2MEN1GLAKMT2A
SCHEMBL10045169 0.93 CYP2C19 (0.50) CYP2C19CYP1A2MEN1GLAKMT2A
SCHEMBL10045177 0.93 CYP2C19 (0.50) CYP2C19CYP1A2MEN1GLAKMT2A
SCHEMBL10045097 0.91 ALDH1A1 (0.48) CYP2C19CYP1A2MEN1GLAKMT2A
SCHEMBL23468532 0.81 CYP2C19 (0.46) CYP2C19CYP1A2MEN1GLAKMT2A
SCHEMBL13865375 0.80 CYP2C19 (0.42) CYP2C19CYP1A2MEN1GLAKMT2A
SCHEMBL19458562 0.80 CA12 (0.50) CYP2C19CYP1A2MEN1GLAKMT2A
SCHEMBL4167237 0.80 CYP2C19 (1.00) CYP2C19CYP1A2MEN1GLAKMT2A

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 6 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-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-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
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 4039/4885CYP1A2 3343/4885MEN1 828/4885
US-20100273745-A1 POLYAMINES USEFUL AS ANTI-PARASITIC AND ANTI-CANCER THERAPEUTICS AND AS LYSINE-SPECIFIC DEMETHYLASE INHIBITORS KDM1A, JMJD6, SRM CYP2C19 4039/4885CYP1A2 3343/4885MEN1 828/4885

“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.