SCHEMBL2491479

SCHEMBL2491479

c1ccc(-c2ccc3nocc3c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.51
RAB9A P51151 2/20 0.51
BACE1 P56817 1/20 0.49
PIK3CA P42336 2/20 0.42
PIK3R1 P27986 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PI4KA P42356 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
DYRK3 O43781 1/20 0.41
CLK1 P49759 1/20 0.41
CLK2 P49760 1/20 0.41
CLK3 P49761 1/20 0.41
GSK3B P49841 1/20 0.41
CDK5 Q00535 1/20 0.41
DYRK1A Q13627 1/20 0.41
CDK5R1 Q15078 1/20 0.41
DYRK2 Q92630 1/20 0.41

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
SCHEMBL2491554 0.85 GAA (0.46) NPC1RAB9ABACE1PIK3CAPIK3R1
Biphenyl SCHEMBL3685922 0.82 NPC1 (0.44) NPC1RAB9AGAAL3MBTL1ESR1
SCHEMBL31358149 0.73 NPC1 (0.63) NPC1RAB9AL3MBTL1KDM4EMEN1
SCHEMBL28201590 0.73 BACE1 (0.62) NPC1RAB9ABACE1PIK3CAPIK3R1
Naphthalene SCHEMBL1879779 0.70 NPC1 (0.43) NPC1RAB9ABACE1GAAKDM4E
Benzo[C]Isoxazole SCHEMBL27845401 0.70 NPC1 (0.43) NPC1RAB9ABACE1GAAKDM4E
Benzo[C]Isoxazole SCHEMBL1833459 0.70 RAB9A (0.43) NPC1RAB9ABACE1GAAKDM4E
SCHEMBL5159013 0.70 PIK3CA (0.59) NPC1RAB9ABACE1PIK3CAPIK3R1
SCHEMBL791413 0.69 NPC1 (0.44) NPC1RAB9ABACE1PIK3CAPIK3R1
SCHEMBL2491067 0.69 PLAU (0.47) NPC1RAB9AGAADYRK1AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030438-B2 Thiophene compound having phosphoric ester and process for producing the same NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2011-10-04 US disclosed
US-20100019229-A1 Thiophene compound having phosphoric ester and process for producing the same NISSAN CHEMICAL INDUSTRIES, LTD (JP) 2010-01-28 US disclosed
EP-1882694-A1 THIOPHENE COMPOUND HAVING PHOSPHORIC ESTER AND PROCESS FOR PRODUCING THE SAME Nissan Chemical Industries, Ltd. (JP) 2008-01-30 EP 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-20100019229-A1 Thiophene compound having phosphoric ester and process for producing the same RRP12, NR2E1, TST NPC1 3134/4885RAB9A 2193/4885BACE1 3412/4885

“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.