SCHEMBL3761806

SCHEMBL3761806

NC1C=CC=CC1(N)C=CC(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
MAOB P27338 4/20 0.42
LMNA P02545 4/20 0.42
CYP1B1 Q16678 3/20 0.42
RECQL P46063 2/20 0.42
PLIN1 O60240 2/20 0.42
PLIN5 Q00G26 2/20 0.42
ABHD5 Q8WTS1 2/20 0.42
BCHE P06276 2/20 0.42
TNFRSF1A P19438 1/20 0.42
ACHE P22303 1/20 0.42
P4HB P07237 1/20 0.39
CYP3A4 P08684 4/20 0.39
RAB9A P51151 3/20 0.39
NFKB1 P19838 3/20 0.39
NFKB2 Q00653 3/20 0.39
RELA Q04206 3/20 0.39
HSPD1 P10809 2/20 0.39
HSPE1 P61604 2/20 0.39
KMT2A Q03164 2/20 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
SCHEMBL27591792 0.75 KDM1A (0.37) MAPTMAOBLMNARECQLRAB9A
SCHEMBL20300538 0.72 MAPT (0.40) MAPTMAOBLMNACYP1B1RECQL
Alcohol SCHEMBL27527151 0.71 ADORA3 (0.34) MAPTRELAKMT2AALDH1A1HPGD
SCHEMBL28173591 0.71 RECQL (0.41) MAPTMAOBLMNACYP1B1RECQL
SCHEMBL28051708 0.71 MAPT (0.42) MAPTMAOBLMNACYP1B1RECQL
Propane SCHEMBL27615955 0.71 KDM1A (0.33) MAPTMAOBLMNARELAKMT2A
Butane SCHEMBL28802598 0.70 KDM1A (0.33) MAPTMAOBLMNACYP3A4RAB9A
SCHEMBL4896000 0.70 MAPT (0.44) MAPTMAOBLMNACYP1B1RECQL
SCHEMBL27695488 0.69 AKT1 (0.41) MAPTMAOBLMNACYP1B1RECQL
SCHEMBL28919612 0.68 MAPT (0.35) MAPTLMNARECQLCYP3A4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7642367-B2 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2010-01-05 US disclosed
US-20080027075-A1 Quaternary Amino-Function Chalcones LICA PHARMACEUTICALS A/S (DK) 2008-01-31 US disclosed
US-20060235073-A1 Diamino-functional chalcones LICA PHARMACEUTICALS A/S (DK) 2006-10-19 US disclosed
EP-1682486-A1 QUATERNARY AMINO-FUNCTIONAL CHALCONES Lica Pharmaceuticals A/S (DK) 2006-07-26 EP disclosed
WO-2005042467-A1 QUATERNARY AMINO-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2005-05-12 WO disclosed
EP-1506158-A2 DIAMINO-FUNCTIONAL CHALCONES Lica Pharmaceuticals A/S (DK) 2005-02-16 EP disclosed
WO-2003097576-A2 DIAMINO-FUNCTIONAL CHALCONES LICA PHARMACEUTICALS A/S (DK) 2003-11-27 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-20080027075-A1 Quaternary Amino-Function Chalcones NR2E1, BET1, NR0B1 MAPT 4666/4885MAOB 2291/4885LMNA 3987/4885

“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.