Sugi Predict

Sugi Predict / Compounds / SCHEMBL3352843

SCHEMBL3352843

SCHEMBL3352843

[c]1noc2c1COc1ccccc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 5/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAOB P27338 8/20 0.36
▸ MAOA P21397 1/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ TSHR P16473 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ HRH1 P35367 3/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HTR2B P41595 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ALPL P05186 1/20 0.33
▸ HSD17B10 Q99714 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
SCHEMBL6698585 0.74 CES1 (0.39) KMT2AALDH1A1KDM4ELMNAGAA
SCHEMBL1812023 0.67 KMT2A (0.51) KMT2AALDH1A1KDM4ELMNAGAA
SCHEMBL29799860 0.66 MAOB (0.60) KMT2AALDH1A1KDM4ELMNAGAA
SCHEMBL132696 0.66 MAOB (0.60) KMT2AALDH1A1KDM4ELMNAGAA
SCHEMBL29395306 0.66 MAOB (0.60) KMT2AALDH1A1KDM4ELMNAGAA
Hydrochloric Acid SCHEMBL572068 0.65 MAOB (0.58) KMT2AALDH1A1KDM4ELMNAGAA
Methane SCHEMBL29238124 0.65 MAOB (0.58) KMT2AALDH1A1KDM4ELMNAGAA
Bromide SCHEMBL11255119 0.65 MAOB (0.58) KMT2AALDH1A1KDM4ELMNAGAA
SCHEMBL19180095 0.64 PKM (0.48) KMT2AALDH1A1KDM4ELMNAGAA
SCHEMBL4993286 0.63 KDM4E (0.41) KMT2AALDH1A1KDM4ELMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7727997-B2 N,N′-substituted-1,3-diamino-2-hydroxypropane derivatives ELAN PHARMACEUTICALS, INC. (US) 2010-06-01 — — US claimed
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease ELAN PHARMACEUTICALS, INC. 2007-09-13 — — US claimed
US-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives PHARMACIA & UPJOHN COMPANY 2004-09-02 — — US claimed

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-20040171881-A1 N,N'-substituted-1,3-diamino-2-hydroxypropane derivatives BACE1, BACE2, PSEN1 KMT2A 3899/4885ALDH1A1 527/4885KDM4E 4309/4885
US-20070213316-A1 Compounds that are effective inhibitors of beta-secretase; inhibitors of beta-secretase-mediated cleavage of amyloid precursor proteins; effective inhibitors of A beta production, and/or are effective to reduce amyloid beta deposits or plaques; treatment of disorders such as Alzheimer's Disease BACE1, BACE2, APP KMT2A 4650/4885ALDH1A1 2133/4885KDM4E 4082/4885

“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.