SCHEMBL4904052

SCHEMBL4904052

O=C1CCCCC1=NNc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 11/20 0.65
MAPT P10636 9/20 0.65
RAB9A P51151 5/20 0.65
ALDH1A1 P00352 10/20 0.64
GFER P55789 3/20 0.50
NPC1 O15118 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.41
ALOX12 P18054 2/20 0.41
MCL1 Q07820 1/20 0.41
KDM4E B2RXH2 2/20 0.41
DEPTOR Q8TB45 1/20 0.40

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
SCHEMBL13624627 1.00 GAA (0.65) GAAMAPTRAB9AALDH1A1GFER
SCHEMBL4904047 1.00 GAA (0.65) GAAMAPTRAB9AALDH1A1GFER
SCHEMBL14366540 0.98 MAPT (0.66) GAAMAPTRAB9AALDH1A1GFER
SCHEMBL5239005 0.98 MAPT (0.66) GAAMAPTRAB9AALDH1A1GFER
SCHEMBL5240047 0.98 MAPT (0.66) GAAMAPTRAB9AALDH1A1GFER
SCHEMBL4238950 0.82 GAA (0.65) GAAMAPTRAB9AALDH1A1GFER
SCHEMBL21114872 0.82 MAPT (0.65) GAAMAPTRAB9AALDH1A1GFER
SCHEMBL21114874 0.82 MAPT (0.65) GAAMAPTRAB9AALDH1A1GFER
SCHEMBL21114859 0.82 ALDH1A1 (0.65) GAAMAPTRAB9AALDH1A1GFER
SCHEMBL21114857 0.82 ALDH1A1 (0.65) GAAMAPTRAB9AALDH1A1GFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES WYETH (US) 2008-04-03 US disclosed
US-20070276009-A1 Compositions and Methods for Viral Inhibition CHIRON CORPORATION 2007-11-29 US disclosed
EP-1856126-A2 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES Wyeth a Corporation of the State of Delaware (US) 2007-11-21 EP disclosed
US-7297704-B2 Cycloalkyfused indole, benzothiophene, benzofuran and idene derivatives WYETH (US) 2007-11-20 US disclosed
US-20060205759-A1 Cycloalkylfused indole, benzothiophene, benzofuran and indene derivatives WYETH (US) 2006-09-14 US disclosed
WO-2006089053-A2 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES WYETH (US) 2006-08-24 WO disclosed
EP-1678137-A1 COMPOSITIONS AND METHODS FOR VIRAL INHIBITION CHIRON CORPORATION (US) 2006-07-12 EP disclosed
WO-2005037791-A1 COMPOSITIONS AND METHODS FOR VIRAL INHIBITION CHIRON CORPORATION (US) 2005-04-28 WO disclosed
EP-0028270-B1 PYRAZINO-CARBAZOLES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CASSELLA Aktiengesellschaft (DE) 1983-02-16 EP disclosed
US-4271073-A ANTIDEPRESSANTS CASSELLA AKTIENGESELLSCHAFT (DE) 1981-06-02 US disclosed
US-4258043-A ANTIDEPRESSANTS CASSELLA AKTIENGESELLSCHAFT (DE) 1981-03-24 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 (3 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-20070276009-A1 Compositions and Methods for Viral Inhibition MAVS, SARS1, ZC3HAV1 GAA 1417/4885MAPT 3817/4885RAB9A 2512/4885
US-20060205759-A1 Cycloalkylfused indole, benzothiophene, benzofuran and indene derivatives TPH1, TPH2, HTR2C GAA 4295/4885MAPT 535/4885RAB9A 4542/4885
US-20080081910-A1 CYCLOALKYLFUSED INDOLE, BENZOTHIOPHENE, BENZOFURAN AND INDENE DERIVATIVES TPH1, TPH2, HTR2C GAA 4295/4885MAPT 535/4885RAB9A 4542/4885

“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.