SCHEMBL4892335

SCHEMBL4892335

CCOc1ccc(N)c(Nc2ccncc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.46
MEN1 O00255 4/20 0.46
NPC1 O15118 3/20 0.46
APOBEC3G Q9HC16 1/20 0.46
MAPT P10636 7/20 0.46
LMNA P02545 5/20 0.46
HTT P42858 4/20 0.46
ALDH1A1 P00352 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
HPGD P15428 2/20 0.46
CTDSP1 Q9GZU7 1/20 0.45
NPSR1 Q6W5P4 2/20 0.43
TSHR P16473 2/20 0.43
GAA P10253 2/20 0.43
SLC2A1 P11166 1/20 0.41
SYK P43405 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
RAB9A P51151 2/20 0.39
JAK2 O60674 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL7987956 0.85 KMT2A (0.49) KMT2AMEN1NPC1APOBEC3GMAPT
SCHEMBL8885417 0.84 MAPT (0.56) KMT2AMEN1NPC1APOBEC3GMAPT
SCHEMBL4899234 0.83 ALDH1A1 (0.51) KMT2AMEN1NPC1APOBEC3GMAPT
SCHEMBL8883131 0.80 POLB (0.47) KMT2AMEN1NPC1APOBEC3GMAPT
SCHEMBL22683204 0.78 CTDSP1 (0.55) KMT2AMEN1NPC1APOBEC3GMAPT
SCHEMBL4898979 0.77 GRM5 (0.49) KMT2AMEN1NPC1APOBEC3GMAPT
SCHEMBL4903737 0.77 NPC1 (0.57) KMT2AMEN1NPC1MAPTLMNA
SCHEMBL4932088 0.77 EHMT2 (0.56) KMT2AMEN1NPC1APOBEC3GMAPT
SCHEMBL20269580 0.76 CTDSP1 (0.54) KMT2AMEN1NPC1APOBEC3GMAPT
SCHEMBL14463845 0.74 CTDSP1 (0.49) KMT2AMEN1NPC1APOBEC3GMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080132551-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor PFIZER INC 2008-06-05 US disclosed
EP-1611128-A2 POSITIVE ALLOSTERIC MODULATORS OF THE NICOTINIC ACETYLCHOLINE RECEPTOR Pharmacia & Upjohn Company LLC (US) 2006-01-04 EP disclosed
WO-2004085433-A2 POSITIVE ALLOSTERIC MODULATORS OF THE NICOTINIC ACETYLCHOLINE RECEPTOR PHARMACIA & UPJOHN COMPANY LLC (US) 2004-10-07 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-20080132551-A1 Positive allosteric modulators of the nicotinic acetylcholine receptor CHRNA1, CHRNA7, CHRNA5 KMT2A 2814/4885MEN1 3753/4885NPC1 2122/4885

“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.