SCHEMBL2353670

SCHEMBL2353670

[c]1cn(CCN2CCOCC2)nn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SIGMAR1 Q99720 2/20 0.37
FLT3 P36888 1/20 0.36
GLA P06280 1/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 1/20 0.35
CYP2D6 P10635 2/20 0.34
TSHR P16473 2/20 0.33
CXCR4 P61073 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL4247406 0.83 HRH3 (0.37) ALDH1A1SIGMAR1POLBCYP2D6L3MBTL1
SCHEMBL7352978 0.80 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1SIGMAR1POLBCYP2D6
SCHEMBL950379 0.72 ALDH1A1 (0.39) KEAP1SMN1; SMN2KDM4EALDH1A1SIGMAR1
SCHEMBL585804 0.70 ALDH1A1 (0.38) KEAP1SMN1; SMN2KDM4EALDH1A1SIGMAR1
SCHEMBL235080 0.69 KDM4E (0.65) KEAP1SMN1; SMN2KDM4EALDH1A1SIGMAR1
SCHEMBL19732396 0.68 FLT3 (0.49) SMN1; SMN2KDM4EALDH1A1SIGMAR1FLT3
SCHEMBL10913328 0.67 KDM4E (0.70) KEAP1SMN1; SMN2KDM4EALDH1A1SIGMAR1
SCHEMBL11856358 0.67 KDM4E (0.70) KEAP1SMN1; SMN2KDM4EALDH1A1SIGMAR1
SCHEMBL2821691 0.67
SCHEMBL3258076 0.67 LMNA (0.38) KDM4EALDH1A1SIGMAR1POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160106711-A1 3-3-Di-Substituted-Oxindoles as Inhibitors of Translation Initiation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-04-21 US claimed
WO-2014047437-A1 3-3-DI-SUBSTITUTED-OXINDOLES AS INHIBITORS OF TRANSLATION INITIATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-03-27 WO claimed
US-5446037-A Antiallergens; elastase inhibitors SYNPHAR LABORATORIES, INC. (CA) 1995-08-29 US claimed
US-20160106711-A1 3-3-Di-Substituted-Oxindoles as Inhibitors of Translation Initiation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-04-21 US disclosed
WO-2014047437-A1 3-3-DI-SUBSTITUTED-OXINDOLES AS INHIBITORS OF TRANSLATION INITIATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-03-27 WO disclosed
US-8455477-B2 Therapeutic compounds MERCK SHARP & DOHME CORP. (US) 2013-06-04 US disclosed
US-20110207711-A1 Therapeutic Compounds MSD K.K. (JP) 2011-08-25 US disclosed
US-5446037-A Antiallergens; elastase inhibitors SYNPHAR LABORATORIES, INC. (CA) 1995-08-29 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-20110207711-A1 Therapeutic Compounds WEE2, MARK3, WEE1 KEAP1 422/4885SMN1; SMN2 1178/4885KDM4E 1778/4885
US-20160106711-A1 3-3-Di-Substituted-Oxindoles as Inhibitors of Translation Initiation RIOX2, EIF4A3, RPL35 KEAP1 2385/4885SMN1; SMN2 1522/4885KDM4E 1670/4885

“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.