SCHEMBL682587

SCHEMBL682587

COC(=O)Cc1c[nH]c(C)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 3/20 0.49
KDM4E B2RXH2 7/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HSD17B10 Q99714 1/20 0.40
HSP90AB1 P08238 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP1A2 P05177 1/20 0.39
THRB P10828 1/20 0.39
BLM P54132 1/20 0.39
GAA P10253 2/20 0.38
KDM5B Q9UGL1 1/20 0.38
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL8212933 0.86 KMT2A (0.48) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3929708 0.84 KDM4E (0.42) USP2KDM4EALDH1A1MAPTKMT2A
SCHEMBL2512261 0.81 GABRR1 (0.43) KDM4EALDH1A1MAPTSMN1; SMN2HSD17B10
SCHEMBL14177816 0.81 TSHR (0.45) USP2KDM4EALDH1A1MAPTKMT2A
SCHEMBL1201703 0.80 KDM4E (0.41) USP2KDM4EALDH1A1MAPTMEN1
Hydrochloric Acid SCHEMBL1375897 0.79 GABRR1 (0.42) KDM4EALDH1A1MAPTSMN1; SMN2HSD17B10
SCHEMBL7676177 0.79 HTT (0.44) USP2ALDH1A1MAPTSMN1; SMN2GAA
SCHEMBL7842867 0.79 SMN1; SMN2 (0.34) USP2SMN1; SMN2
SCHEMBL3655249 0.79 USP2 (0.35) USP2KDM4EALDH1A1MAPTMEN1
SCHEMBL23038543 0.78 USP2 (0.34) USP2KDM4EALDH1A1GAARAB9A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9624200-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-04-18 US disclosed
US-9624200-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2017-04-18 US disclosed
US-20150087645-A1 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. 2015-03-26 US disclosed
US-20150087645-A1 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. 2015-03-26 US disclosed
US-8927546-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-01-06 US disclosed
US-8927546-B2 Therapeutic piperazines DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2015-01-06 US disclosed
WO-2012040258-A2 THERAPEUTIC PIPERAZINES HELICON THERAPEUTICS, INC. (US) 2012-03-29 WO disclosed
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 US disclosed
US-20110065691-A1 THERAPEUTIC PIPERAZINES DART NEUROSCIENCE (CAYMAN) LTD. (KY) 2011-03-17 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-20150087645-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D USP2 3932/4885KDM4E 1159/4885ALDH1A1 1228/4885
US-20110065691-A1 THERAPEUTIC PIPERAZINES PDE4A, PDE4B, PDE4D USP2 3932/4885KDM4E 1159/4885ALDH1A1 1228/4885

“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.