SCHEMBL3214487

SCHEMBL3214487

CCOc1ccc(N)c(C=O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
NPC1 O15118 1/20 0.54
APOBEC3G Q9HC16 1/20 0.54
ALDH1A1 P00352 4/20 0.49
MAPT P10636 4/20 0.49
LMNA P02545 3/20 0.49
TSHR P16473 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
TP53 P04637 2/20 0.46
CYP3A4 P08684 2/20 0.46
NQO1 P15559 1/20 0.45
ERN1 O75460 2/20 0.44
HSD17B10 Q99714 3/20 0.44
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.41

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
SCHEMBL18812296 0.86 ALDH1A1 (0.53) MEN1KMT2ANPC1APOBEC3GALDH1A1
SCHEMBL19254669 0.82 MEN1 (0.54) MEN1KMT2ANPC1APOBEC3GALDH1A1
SCHEMBL3209341 0.81 ALDH1A1 (0.41) ALDH1A1MAPTERN1HSD17B10HPGD
SCHEMBL27700904 0.81 KMT2A (0.50) MEN1KMT2ANPC1APOBEC3GALDH1A1
Phenetole SCHEMBL28134948 0.81 TP53 (0.50) MEN1KMT2ANPC1APOBEC3GALDH1A1
SCHEMBL271557 0.80 LMNA (0.51) ALDH1A1MAPTLMNATSHRNQO1
SCHEMBL13265071 0.80 ALDH1A1 (0.47) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL2204435 0.79 ERN1 (0.61) MEN1KMT2AALDH1A1MAPTLMNA
Alcohol SCHEMBL28373237 0.79 ERN1 (0.57) MEN1KMT2AALDH1A1MAPTLMNA
SCHEMBL5882874 0.79 ERN1 (0.66) ALDH1A1MAPTNQO1ERN1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-3660010-A1 S1P MODULATING AGENTS Biogen MA Inc. (US) 2020-06-03 EP disclosed
US-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS AbbVie Deutschland GmbH & Co. KG (DE) 2014-08-07 US disclosed
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-02-18 US disclosed
EP-1917245-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS Abbott GmbH & Co. KG (DE) 2008-05-07 EP disclosed
WO-2007022946-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO. KG (DE) 2007-03-01 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 (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-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C MEN1 2777/4885KMT2A 3808/4885NPC1 2712/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C MEN1 2777/4885KMT2A 3808/4885NPC1 2712/4885

“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.