SCHEMBL15328359

SCHEMBL15328359

COc1cc(N2CCOCC2)cc(C(C)C)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.44
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
THRB P10828 2/20 0.42
MAPT P10636 3/20 0.41
PKM P14618 1/20 0.41
PRKDC P78527 3/20 0.41
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.40
FYN P06241 1/20 0.40
HTT P42858 1/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
HCRTR1 O43613 1/20 0.39

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
SCHEMBL2438535 0.88 KDM4E (0.46) ALDH1A1MEN1KMT2AMAPTPRKDC
SCHEMBL2434780 0.82 KDM4E (0.45) ALDH1A1MEN1KMT2ATHRBMAPT
SCHEMBL15328593 0.81 HIF1A (0.49) HIF1AALDH1A1MEN1KMT2ATHRB
SCHEMBL15328727 0.81 MEN1 (0.47) HIF1AALDH1A1MEN1KMT2ATHRB
SCHEMBL12781702 0.81 HIF1A (0.53) HIF1AALDH1A1MEN1KMT2ATHRB
SCHEMBL23759591 0.75 ALDH1A1 (0.42) HIF1AALDH1A1MAPTPRKDCKDM4E
SCHEMBL31095740 0.74 MAPT (0.59) ALDH1A1MEN1KMT2AMAPTPRKDC
SCHEMBL20338950 0.74 ALDH1A1 (0.48) HIF1AALDH1A1MEN1KMT2ATHRB
SCHEMBL223337 0.74 LGMN (0.61) HIF1AALDH1A1MEN1KMT2ATHRB
Hydrochloric Acid SCHEMBL375344 0.73 LGMN (0.59) HIF1AALDH1A1MEN1KMT2ATHRB

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-9108936-B2 Substituted 4-aminobenzamides as KCNQ2/3 modulators GRUENENTHAL GMBH (DE) 2015-08-18 US disclosed
EP-2844645-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2015-03-11 EP disclosed
WO-2013156155-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2013-10-24 WO disclosed
US-20130281452-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS GRUENENTHAL GMBH (DE) 2013-10-24 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 (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-20130281452-A1 SUBSTITUTED 4-AMINOBENZAMIDES AS KCNQ2/3 MODULATORS KCNJ2, KCNQ2, KCNQ1 HIF1A 2134/4885ALDH1A1 3041/4885MEN1 4108/4885

“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.