SCHEMBL2804966

SCHEMBL2804966

COc1ccc(Cn2ncc3c4c(cnc32)CCc2cc(OC)c(OC)cc2-4)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
LMNA P02545 5/20 0.45
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PDE10A Q9Y233 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
ABCB1 P08183 1/20 0.41
ABCC1 P33527 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
CNR2 P34972 3/20 0.41
PDE1A P54750 3/20 0.40
PDE1B Q01064 3/20 0.40
PDE1C Q14123 3/20 0.40
PDGFRB P09619 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
SCHEMBL13273412 0.91 ALDH1A1 (0.41) ALDH1A1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL2806808 0.82 ALDH1A1 (0.44) ALDH1A1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL12315707 0.82 MAPT (0.42) ALDH1A1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL2805918 0.82 MAPT (0.43) ALDH1A1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL2512329 0.81 ALDH1A1 (0.48) ALDH1A1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL2803963 0.80 ALDH1A1 (0.43) ALDH1A1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL2490576 0.79 ALDH1A1 (0.41) ALDH1A1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL2490215 0.79 ALDH1A1 (0.43) ALDH1A1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL2804194 0.79 PDE1A (0.43) ALDH1A1LMNAMAPTSMN1; SMN2HPGD
SCHEMBL2804703 0.79 ALDH1A1 (0.49) ALDH1A1LMNAMAPTSMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 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-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS NQO1, IDH3B, IDH1 ALDH1A1 460/4885LMNA 1591/4885MAPT 3332/4885

“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.