SCHEMBL2431041

SCHEMBL2431041

Cc1cc(Br)cnc1NC(=O)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.55
ALDH1A1 P00352 1/20 0.55
KDM4E B2RXH2 2/20 0.51
RXFP1 Q9HBX9 1/20 0.48
P4HTM Q9NXG6 2/20 0.48
RAB9A P51151 2/20 0.48
KCNQ3 O43525 2/20 0.46
KCNQ2 O43526 2/20 0.46
KCNE1 P15382 2/20 0.46
KCNQ1 P51787 2/20 0.46
BACE1 P56817 1/20 0.46
KCNMA1 Q12791 1/20 0.45
ABL1 P00519 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KCNQ5 Q9NR82 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
PTPN11 Q06124 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL24670944 0.85 NPC1 (0.52) NPC1ALDH1A1RXFP1RAB9AKCNQ3
SCHEMBL25366886 0.77 NPC1 (0.49) NPC1ALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL31241045 0.76 KCNQ3 (0.53) KDM4EP4HTMRAB9AKCNQ3KCNQ2
SCHEMBL760353 0.76 NPC1 (0.48) NPC1ALDH1A1RAB9AMEN1KMT2A
SCHEMBL6936745 0.75 BACE1 (0.53) NPC1ALDH1A1KDM4EP4HTMRAB9A
SCHEMBL17593229 0.74 NPC1 (0.47) NPC1ALDH1A1KDM4ERAB9ABACE1
SCHEMBL2890734 0.74 KDM4E (0.68) NPC1KDM4ERXFP1RAB9AKCNQ3
SCHEMBL18370193 0.74 NPC1 (0.47) NPC1ALDH1A1RAB9AABL1SMN1; SMN2
SCHEMBL27158183 0.73 KCNQ3 (0.47) ALDH1A1KDM4EP4HTMKCNQ3KCNQ2
SCHEMBL18979450 0.73 PTGFR (0.44) NPC1ALDH1A1RXFP1RAB9AKCNQ3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2086966-B1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-09-14 EP disclosed
EP-2086966-B1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-09-14 EP disclosed
US-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US disclosed
US-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US disclosed
US-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION 2009-11-05 US disclosed
WO-2008059042-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2008-05-22 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-20090274655-A1 2-CARBOXY THIOPHENE DERIVATIVES AS ANTI VIRAL AGENTS EIF2AK2, HAVCR2, GTF3C2 NPC1 1898/4885ALDH1A1 860/4885KDM4E 1120/4885

“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.