SCHEMBL3664577

SCHEMBL3664577

O=C(/C=C/c1cccc(Br)n1)c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 8/20 0.57
CYP1A2 P05177 8/20 0.57
CYP1B1 Q16678 8/20 0.57
CYP3A4 P08684 6/20 0.57
CYP2D6 P10635 6/20 0.57
MAPT P10636 6/20 0.53
ALDH1A1 P00352 3/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 2/20 0.52
HPGD P15428 1/20 0.52
APP P05067 1/20 0.51
GSK3B P49841 1/20 0.51
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50

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
SCHEMBL3665257 0.83 CYP1A1 (0.57) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL3665722 0.83 CYP1A1 (0.59) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL4185022 0.80 CYP1A1 (0.68) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL3664956 0.80 CYP1A1 (0.68) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL29402512 0.77 PFKFB3 (0.73) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL197580 0.77 PFKFB3 (0.73) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL197579 0.77 PFKFB3 (0.73) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL10309038 0.76 PFKFB3 (0.56) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL10275589 0.76 PFKFB3 (0.56) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL1321943 0.75 CYP1B1 (0.75) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6

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 CYP1A1 339/4885CYP1A2 616/4885CYP1B1 277/4885

“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.