SCHEMBL10045212

SCHEMBL10045212

Fc1cc(F)c(CNCCCNCCCNCCCNCc2cc(F)c(F)cc2F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ USP28 Q96RU2 1/20 0.40
▸ CHRM2 P08172 4/20 0.39
▸ CA12 O43570 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ MPO P05164 2/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ ACHE P22303 4/20 0.36
▸ BACE1 P56817 1/20 0.35
▸ BACE2 Q9Y5Z0 1/20 0.35

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
SCHEMBL3139434 0.81 USP28 (0.39) USP28MPOSLC6A4BACE1BACE2
SCHEMBL10045211 0.79 DPP4 (0.38) SLC6A4BACE1BACE2
SCHEMBL7142605 0.75 S1PR1 (0.40) USP28KDM4E
SCHEMBL19102996 0.74 SMN1; SMN2 (0.41) CHRM2TSHRMPOSLC6A4BACE1
SCHEMBL10138845 0.73 DPP4 (0.33) KDM4EBACE1BACE2
SCHEMBL19367962 0.73 DPP4 (0.33) KDM4EBACE1BACE2
SCHEMBL14619425 0.71 DPP4 (0.38) CHRM2CA12CA2CA9TSHR
SCHEMBL24709706 0.70 DPP4 (0.42) USP28
SCHEMBL8337555 0.70 DPP4 (0.42) SLC6A4
Hydrochloric Acid SCHEMBL25414993 0.68 DPP4 (0.41) KDM4E

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 7 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
WO-2007021839-A2 POLYAMINES USEFUL AS ANTI-PARASITIC AND ANTI-CANCER THERAPEUTICS AND AS LYSINE-SPECIFIC DEMETHYLASE INHIBITORS JOHNS HOPKINS UNIVERSITY (US) 2007-02-22 — — 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 (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 USP28 1106/4885CHRM2 3888/4885CA12 4412/4885
US-20100273745-A1 POLYAMINES USEFUL AS ANTI-PARASITIC AND ANTI-CANCER THERAPEUTICS AND AS LYSINE-SPECIFIC DEMETHYLASE INHIBITORS KDM1A, JMJD6, SRM USP28 1106/4885CHRM2 3888/4885CA12 4412/4885

“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.

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