SCHEMBL1895375

SCHEMBL1895375

CCOCC(=O)Nc1cnc2ccccc2c1NCC(C)(C)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.44
POLB P06746 2/20 0.44
ALDH1A1 P00352 5/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 2/20 0.40
MAPT P10636 4/20 0.39
NPSR1 Q6W5P4 3/20 0.39
GLA P06280 1/20 0.39
AHR P35869 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38

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
Hydrochloric Acid SCHEMBL1900339 0.88 TSHR (0.42) KDM4EPOLBALDH1A1RAB9ASMN1; SMN2
SCHEMBL3861813 0.86 ALDH1A1 (0.42) KDM4EPOLBALDH1A1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL1486687 0.84 ALDH1A1 (0.50) KDM4EPOLBALDH1A1RAB9ASMN1; SMN2
SCHEMBL4308968 0.81 MEN1 (0.45) KDM4EPOLBALDH1A1RAB9ASMN1; SMN2
SCHEMBL1897056 0.81 KDM4E (0.42) KDM4EPOLBALDH1A1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL4315442 0.81 MEN1 (0.45) KDM4EPOLBALDH1A1RAB9ASMN1; SMN2
SCHEMBL22347101 0.81 BRD4 (0.41) MEN1KMT2APKMCYP3A4
SCHEMBL18179116 0.81 BRD4 (0.41) RAB9ANPC1MEN1KMT2APKM
SCHEMBL7637380 0.80 KDM4E (0.44) KDM4EPOLBALDH1A1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL1141137 0.79 MEN1 (0.43) KDM4EPOLBALDH1A1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7939526-B2 Sulfone substituted imidazo ring ethers 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-05-10 US disclosed
US-20070155767-A1 Sulfone substituted imidazo ring ethers 3M INNOVATIVE PROPERTIES COMPANY 2007-07-05 US disclosed
EP-1694674-A2 SULFONE SUBSTITUTED IMIDAZO RING ETHERS 3M Innovative Properties Company (US) 2006-08-30 EP disclosed
WO-2005076783-A2 SULFONE SUBSTITUTED IMIDAZO RING ETHERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-08-25 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 (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-20070155767-A1 Sulfone substituted imidazo ring ethers IL2, IL4, IFNG KDM4E 1554/4885POLB 4633/4885ALDH1A1 2118/4885

“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.