SCHEMBL577236

SCHEMBL577236

[c]1cccc2cc3nccnc3cc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.35
POLB P06746 3/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 2/20 0.35
HTT P42858 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.33
CASP1 P29466 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CASP7 P55210 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
NR4A2 P43354 1/20 0.33
TP53 P04637 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
TSHR P16473 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL525030 0.85 NPC1 (0.46) ALDH1A1POLBRAB9ANPC1HTT
SCHEMBL17511883 0.85 NPC1 (0.46) ALDH1A1POLBRAB9ANPC1HTT
SCHEMBL756551 0.78 CYP2A6 (0.32)
SCHEMBL17511851 0.76 ALDH1A1 (0.34) ALDH1A1MAPTGLA
SCHEMBL1921671 0.75 ALDH1A1 (0.32) ALDH1A1MAPTGLA
SCHEMBL525029 0.74 ALDH1A1 (0.33) ALDH1A1MAPTGLA
SCHEMBL17044573 0.73
SCHEMBL1044235 0.73 ALDH1A1 (0.32) ALDH1A1MAPTCASP1CASP7HSD17B10
SCHEMBL17511899 0.73 EGFR (0.47) KDM4EPI4KAPI4K2BPI4K2API4KB
SCHEMBL17511898 0.73 EGFR (0.47) KDM4EPI4KAPI4K2BPI4K2API4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9780310-B2 Heterocyclic compound for organic electroluminescent device and its application TOSOH CORPORATION (JP) 2017-10-03 US disclosed
US-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
US-20160056388-A1 HETEROCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ITS APPLICATION TOSOH CORPORATION (JP) 2016-02-25 US disclosed
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
US-8377962-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
EP-2461811-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX Pharmaceuticals, Inc. (US) 2012-06-13 EP disclosed
EP-2417134-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX Pharmaceuticals, Inc. (US) 2012-02-15 EP disclosed
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2011-06-02 US disclosed
WO-2011017389-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS USEFUL AGAINST VIRAL INFECTIONS, PARTICULARLY HCV IDENIX PHARMACEUTICALS, INC. (US) 2011-02-10 WO disclosed
WO-2010118078-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2010-10-14 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 (4 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-20160056388-A1 HETEROCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ITS APPLICATION AOC2, AZI2, KCNH2 ALDH1A1 448/4885POLB 2634/4885RAB9A 2520/4885
US-20110129443-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 ALDH1A1 1913/4885POLB 3460/4885RAB9A 2215/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 ALDH1A1 1913/4885POLB 3460/4885RAB9A 2215/4885
US-20100260710-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 ALDH1A1 1913/4885POLB 3460/4885RAB9A 2215/4885

“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.