SCHEMBL12844296

SCHEMBL12844296

CCCc1cccc(-n2nc(C)cc2C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.49
KMT2A Q03164 1/20 0.48
MAPT P10636 7/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 4/20 0.43
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
ALOX15 P16050 1/20 0.41
PTGS2 P35354 1/20 0.41
HTT P42858 3/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
LMNA P02545 3/20 0.40
TP53 P04637 1/20 0.40
CYP1A2 P05177 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 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
SCHEMBL17518823 0.87 MPO (0.51) MPOKMT2AMAPTL3MBTL1TDP1
SCHEMBL12775844 0.83 MPO (0.48) MPOKMT2AMAPTL3MBTL1TDP1
SCHEMBL28699689 0.83 KMT2A (0.55) MPOKMT2AMAPTL3MBTL1TDP1
SCHEMBL30474518 0.83 KMT2A (0.55) MPOKMT2AMAPTL3MBTL1TDP1
SCHEMBL28099592 0.79 MPO (0.47) MPOKMT2AMAPTL3MBTL1TDP1
SCHEMBL16115868 0.78 L3MBTL1 (0.53) MPOKMT2AMAPTL3MBTL1TDP1
SCHEMBL19902885 0.78 KMT2A (0.54) MPOKMT2AMAPTL3MBTL1TDP1
SCHEMBL8338087 0.76 ALDH1A1 (0.69) MAPTL3MBTL1ALDH1A1HPGDKDM4E
SCHEMBL19191924 0.76 MAPK1 (0.44) MAPTL3MBTL1TDP1ALDH1A1HPGD
SCHEMBL16139661 0.76 NPC1 (0.66) ALDH1A1HPGDRAB9ACYP1A2CYP2C19

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-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 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 (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-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK MPO 523/4885KMT2A 2987/4885MAPT 1563/4885

“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.