SCHEMBL2185129

SCHEMBL2185129

COc1ccc(CNc2cc[c]cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.65
GAA P10253 4/20 0.65
RAB9A P51151 3/20 0.65
NPC1 O15118 2/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
ALDH1A1 P00352 3/20 0.57
LMNA P02545 1/20 0.57
KDM4E B2RXH2 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA9 Q16790 1/20 0.56
FFAR1 O14842 1/20 0.55
HIF1A Q16665 1/20 0.54
TUBB4A P04350 1/20 0.53
TUBB P07437 1/20 0.53
TUBA3C P0DPH7 1/20 0.53

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
SCHEMBL5669873 0.87 MAPT (0.82) MAPTGAARAB9ANPC1L3MBTL1
SCHEMBL10055019 0.87 MAPT (0.82) MAPTGAARAB9ANPC1L3MBTL1
SCHEMBL1844199 0.87 MAPT (0.82) MAPTGAARAB9ANPC1L3MBTL1
SCHEMBL5545073 0.84 HIF1A (0.55) MAPTGAARAB9ANPC1L3MBTL1
SCHEMBL7223359 0.83 MAPT (0.69) MAPTGAARAB9ANPC1ALDH1A1
SCHEMBL28857985 0.81 CHRM2 (0.58) GAAALDH1A1KDM4EPKM
SCHEMBL22783768 0.81 MAPT (0.74) MAPTGAARAB9ANPC1L3MBTL1
SCHEMBL2306553 0.81 HIF1A (0.74) MAPTGAARAB9ANPC1L3MBTL1
SCHEMBL5536027 0.80 HIF1A (0.59) MAPTGAARAB9ANPC1MEN1
Iodide SCHEMBL31325827 0.80 HIF1A (0.72) MAPTGAARAB9ANPC1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166132-A1 Gamma Secretase Modulators AMGEN INC. (US) 2011-07-07 US claimed
EP-2231602-A1 GAMMA SECRETASE MODULATORS Amgen, Inc (US) 2010-09-29 EP claimed
WO-2009075874-A1 GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-06-18 WO claimed
EP-1076649-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 2001-02-21 EP claimed
US-6127381-A A MELANOCORTIN RECEPTOR LIGAND FOR REGULATING FOOD INTAKE AND BODY WEIGHT, REGULATING CYTOKINE ACTIVITY, ANTI-INFLAMMATORY ACTIVITY LION BIOSCIENCE AG (DE) 2000-10-03 US claimed
WO-1999055679-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 1999-11-04 WO claimed
US-20110166132-A1 Gamma Secretase Modulators AMGEN INC. (US) 2011-07-07 US disclosed
EP-2231602-A1 GAMMA SECRETASE MODULATORS Amgen, Inc (US) 2010-09-29 EP disclosed
WO-2009075874-A1 GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-06-18 WO disclosed
US-6608082-B1 Treatment of erectile dysfunction using isoquinoline compound melanocortin receptor ligands LION BIOSCIENCE AG (DE) 2003-08-19 US disclosed
EP-1076649-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 2001-02-21 EP disclosed
US-6127381-A A MELANOCORTIN RECEPTOR LIGAND FOR REGULATING FOOD INTAKE AND BODY WEIGHT, REGULATING CYTOKINE ACTIVITY, ANTI-INFLAMMATORY ACTIVITY LION BIOSCIENCE AG (DE) 2000-10-03 US disclosed
WO-1999055679-A1 ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME TREGA BIOSCIENCES, INC. (US) 1999-11-04 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-20110166132-A1 Gamma Secretase Modulators BACE1, BACE2, PSEN1 MAPT 173/4885GAA 11/4885RAB9A 1459/4885

“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.