SCHEMBL9605418

SCHEMBL9605418

O=C(/C=C/C1=CC=CC1)c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 9/20 0.57
CYP1A2 P05177 9/20 0.57
CYP1B1 Q16678 9/20 0.57
CYP3A4 P08684 6/20 0.57
CYP2D6 P10635 6/20 0.57
MAPT P10636 4/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
APP P05067 1/20 0.51
GSK3B P49841 1/20 0.51
CAPN1 P07384 1/20 0.50
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 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
SCHEMBL32689424 0.82 MAPT (0.53) CYP1B1CYP3A4MAPTKMT2AMEN1
SCHEMBL166048 0.74 CYP1A1 (0.63) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL10036804 0.74 CYP1A1 (0.63) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL9503680 0.73 CYP1B1 (1.00) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL979408 0.73 CYP1B1 (1.00) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL20570877 0.73 CYP1A1 (0.82) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL10308994 0.72 CYP1A1 (0.75) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL27497512 0.72 CYP1A1 (0.65) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL10036802 0.72 CYP1A1 (0.65) CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6
SCHEMBL9567804 0.71 MAPT (0.70) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135091-A1 METHODS AND COMPOSITIONS FOR ENHANCING LIFESPAN INVOLVING SIRTUIN-MODULATING COMPOUNDS AND CHALCOGENIDES US ARMY, SECRETARY OF THE ARMY 2012-05-31 US disclosed
US-20100168084-A1 Therapeutic compounds and related methods of use ELIXIR PHARMACEUTICALS, INC. 2010-07-01 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 (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-20100168084-A1 Therapeutic compounds and related methods of use EP300, KAT2A, KAT6B CYP1A1 3460/4885CYP1A2 3432/4885CYP1B1 2991/4885
US-20120135091-A1 METHODS AND COMPOSITIONS FOR ENHANCING LIFESPAN INVOLVING SIRTUIN-MODULATING COMPOUNDS AND CHALCOGENIDES HSF1, SIRT1, SIRT2 CYP1A1 3966/4885CYP1A2 4075/4885CYP1B1 3536/4885

“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.