Sugi Predict

Sugi Predict / Compounds / SCHEMBL2803926

SCHEMBL2803926

SCHEMBL2803926

COc1ccc(Cn2ncc3c4c(cnc32)CCOc2ccccc2-4)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.45
▸ MAPT P10636 4/20 0.45
▸ LMNA P02545 3/20 0.45
▸ HPGD P15428 2/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CNR2 P34972 4/20 0.40
▸ NPBWR1 P48145 5/20 0.39
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ MET P08581 1/20 0.38
▸ PDE1A P54750 2/20 0.37
▸ PDE1B Q01064 2/20 0.37
▸ PDE1C Q14123 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ ACVR1B P36896 1/20 0.37

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
SCHEMBL2802329 0.90 MAPT (0.46) ALDH1A1MAPTLMNAHPGDALOX15
SCHEMBL2512329 0.84 ALDH1A1 (0.48) ALDH1A1MAPTLMNAHPGDALOX15
SCHEMBL2804703 0.82 ALDH1A1 (0.49) ALDH1A1MAPTLMNAHPGDALOX15
SCHEMBL2487126 0.81 MAPT (0.45) ALDH1A1MAPTLMNAHPGDALOX15
SCHEMBL2803963 0.79 ALDH1A1 (0.43) ALDH1A1MAPTLMNAHPGDALOX15
SCHEMBL2805918 0.78 MAPT (0.43) ALDH1A1MAPTLMNAHPGDALOX15
SCHEMBL2804966 0.78 ALDH1A1 (0.45) ALDH1A1MAPTLMNAHPGDALOX15
SCHEMBL2803522 0.78 LMNA (0.46) ALDH1A1MAPTLMNAHPGDALOX15
SCHEMBL2488223 0.77 ALDH1A1 (0.46) ALDH1A1MAPTLMNAHPGDALOX15
SCHEMBL2806808 0.77 ALDH1A1 (0.44) ALDH1A1MAPTLMNAHPGDALOX15

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 7 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
WO-2010078427-A1 SUBSTITUTED PYRAZOLO [3, 4-B] PYRIDINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 — — 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-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS NQO1, IDH3B, IDH1 ALDH1A1 460/4885MAPT 3332/4885LMNA 1591/4885

“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.