Sugi Predict

Sugi Predict / Compounds / SCHEMBL2490474

SCHEMBL2490474

SCHEMBL2490474

COc1ccc(Cn2ncc3c4c(cnc32)CC(C(=O)O)CC4)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ MAPT P10636 4/20 0.43
▸ LMNA P02545 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ CNR2 P34972 2/20 0.42
▸ ADORA1 P30542 3/20 0.41
▸ AKR1C3 P42330 2/20 0.40
▸ AKR1C2 P52895 2/20 0.40
▸ PDE1A P54750 2/20 0.39
▸ PDE1B Q01064 2/20 0.39
▸ PDE1C Q14123 2/20 0.39
▸ PDE4B Q07343 2/20 0.39
▸ NPBWR1 P48145 1/20 0.39
▸ PKM P14618 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ UCHL1 P09936 1/20 0.38

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
SCHEMBL2486658 0.89 ALDH1A1 (0.45) ALDH1A1MAPTLMNAHSD17B10SMN1; SMN2
SCHEMBL2485311 0.88 ALDH1A1 (0.47) ALDH1A1MAPTLMNAHPGDALOX15
SCHEMBL2486174 0.85 LMNA (0.45) ALDH1A1MAPTLMNAHPGDALOX15
Trifluoroacetic Acid SCHEMBL2487630 0.85 CNR2 (0.40) ALDH1A1MAPTLMNAHPGDALOX15
SCHEMBL12315715 0.83 LMNA (0.46) ALDH1A1MAPTLMNAHPGDALOX15
SCHEMBL2484040 0.83 MTNR1A (0.45) ALDH1A1MAPTLMNAHPGDALOX15
SCHEMBL2491028 0.82 CNR2 (0.41) ALDH1A1MAPTLMNAHPGDALOX15
SCHEMBL2484561 0.82 CYP2C19 (0.47) ALDH1A1MAPTLMNAHPGDALOX15
SCHEMBL2487179 0.81 LMNA (0.43) ALDH1A1MAPTLMNAHPGDALOX15
SCHEMBL2489746 0.81 ALDH1A1 (0.39) 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 9 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
EP-2379551-A1 SUBSTITUTED PYRAZOLO [3, 4-B]PYRIDINE COMPOUNDS ArQule, Inc. (US) 2011-10-26 — — EP 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
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.