SCHEMBL3717088

SCHEMBL3717088

CC(C)(C)CC(=O)/C=C/c1cncc(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.40
PADI4 Q9UM07 1/20 0.38
APP P05067 1/20 0.38
POLB P06746 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 2/20 0.35
CACNA1I Q9P0X4 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP1B1 Q16678 1/20 0.35
HSD17B3 P37058 1/20 0.34
RAB9A P51151 1/20 0.34
S1PR4 O95977 1/20 0.34

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
SCHEMBL3717090 1.00 BACE1 (0.40) BACE1PADI4APPPOLBHCAR2
SCHEMBL4172750 0.80 KMT2A (0.44) PADI4POLBHCAR2CYP1A2CYP3A4
SCHEMBL4172746 0.80 KMT2A (0.44) PADI4POLBHCAR2CYP1A2CYP3A4
SCHEMBL4168186 0.79 PADI4 (0.40) PADI4POLBHCAR2CYP1A2CYP3A4
SCHEMBL4168194 0.79 PADI4 (0.40) PADI4POLBHCAR2CYP1A2CYP3A4
SCHEMBL9118450 0.78 GLA (0.44) PADI4APPPOLBHCAR2CYP1A2
SCHEMBL9118435 0.78 GLA (0.44) PADI4APPPOLBHCAR2CYP1A2
SCHEMBL3350956 0.77 PADI4 (0.38) PADI4POLBHCAR2CYP1A2CYP3A4
SCHEMBL3350951 0.77 PADI4 (0.38) PADI4POLBHCAR2CYP1A2CYP3A4
SCHEMBL746977 0.76 HCAR2 (0.48) BACE1PADI4APPPOLBHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242742-B1 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2015-12-02 EP disclosed
US-8343966-B2 Organic compounds NOVARTIS AG (CH) 2013-01-01 US disclosed
EP-2242742-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2010-10-27 EP disclosed
US-20090215776-A1 Organic compounds ADCOCK CLAIRE 2009-08-27 US disclosed
WO-2009087212-A2 PYRIDINE DERIVATIVES NOVARTIS AG (CH) 2009-07-16 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-20090215776-A1 Organic compounds REN, RXFP1, MYLK BACE1 4384/4885PADI4 4162/4885APP 4624/4885

“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.