SCHEMBL6480797

SCHEMBL6480797

O=C1C(=O)N(C(CCCCF)c2nc3ccccc3[nH]2)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
POLB P06746 2/20 0.40
IDO1 P14902 1/20 0.40
ALOX12 P18054 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
GAA P10253 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPK1 P28482 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE10A Q9Y233 1/20 0.34
USP2 O75604 2/20 0.34
MAPT P10636 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL6481697 0.80 ALDH1A1 (0.39) ALDH1A1POLBIDO1ALOX12L3MBTL1
SCHEMBL6490203 0.76 ALDH1A1 (0.36) ALDH1A1POLBIDO1ALOX12L3MBTL1
SCHEMBL6479983 0.76 ALDH1A1 (0.36) ALDH1A1POLBIDO1ALOX12L3MBTL1
SCHEMBL6491890 0.74 ALDH1A1 (0.34) ALDH1A1POLBIDO1ALOX12L3MBTL1
SCHEMBL6480123 0.66 CYP2C19 (0.39) ALDH1A1POLBGAAKDM4EUSP2
SCHEMBL10753857 0.66 MLKL (0.49) ALDH1A1POLBIDO1ALOX12TAAR1
SCHEMBL27953695 0.63 IDO1 (0.56) ALDH1A1POLBIDO1ALOX12L3MBTL1
SCHEMBL5122717 0.62 CES1 (0.49) ALDH1A1GAAKMT2ATDP1
SCHEMBL3221142 0.62 TAAR1 (0.60) ALDH1A1POLBIDO1ALOX12L3MBTL1
SCHEMBL20322959 0.61 CES1 (0.52) ALDH1A1GAAKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6844342-B2 Heterocyclic substituted 2-methyl-benzimidazole antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2005-01-18 US disclosed
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed
EP-1343499-A4 HETEROCYCLIC SUBSTITUTED 2-METHYL-BENZIMIDAZOLE ANTIVIRAL AGENTS BRISTOL MYERS SQUIBB CO (US) 2004-05-06 EP disclosed
US-20040067997-A1 Heterocyclic substituted 2-methyl-benzimidazole antiviral agents YU KUO-LONG (US) 2004-04-08 US disclosed
EP-1343499-A2 HETEROCYCLIC SUBSTITUTED 2-METHYL-BENZIMIDAZOLE ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-09-17 EP disclosed
WO-2002062290-A2 HETEROCYCLIC SUBSTITUTED 2-METHYL-BENZIMIDAZOLE ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-15 WO disclosed
US-20020099208-A1 Heterocyclic substituted 2-methyl-benzimidazole antiviral agents BRISTOL-MYERS SQUIBB COMPANY 2002-07-25 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 (2 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-20020099208-A1 Heterocyclic substituted 2-methyl-benzimidazole antiviral agents MAVS, ZC3HAV1, EIF2AK2 ALDH1A1 2968/4885POLB 554/4885IDO1 1043/4885
US-20040067997-A1 Heterocyclic substituted 2-methyl-benzimidazole antiviral agents MAVS, ZC3HAV1, EIF2AK2 ALDH1A1 2968/4885POLB 554/4885IDO1 1043/4885

“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.