SCHEMBL6323581

SCHEMBL6323581

O=C(Nc1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cc1)C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR2E3 Q9Y5X4 3/20 0.55
KDM4E B2RXH2 4/20 0.53
TP53 P04637 2/20 0.53
PTPN1 P18031 1/20 0.50
S1PR1 P21453 1/20 0.50
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
MEN1 O00255 1/20 0.48
PKM P14618 1/20 0.48
ENPP3 O14638 4/20 0.48
ENPP2 Q13822 3/20 0.48
ENPP1 P22413 3/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47

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
SCHEMBL6323582 0.92 NR2E3 (0.62) NR2E3KDM4ETP53PTPN1S1PR1
SCHEMBL14439813 0.88 NR2E3 (0.64) NR2E3KDM4ETP53PTPN1S1PR1
SCHEMBL14305024 0.88 NR2E3 (0.64) NR2E3KDM4ETP53PTPN1S1PR1
SCHEMBL6323575 0.86 NR2E3 (0.57) NR2E3KDM4ETP53PTPN1S1PR1
SCHEMBL20661102 0.82 KDM4E (0.59) KDM4ETP53NPC1RAB9AALDH1A1
SCHEMBL14381670 0.81 NR2E3 (0.64) NR2E3KDM4ETP53S1PR1NPC1
SCHEMBL14381520 0.81 NR2E3 (0.57) NR2E3KDM4ETP53PTPN1S1PR1
SCHEMBL14381733 0.81 NR2E3 (0.64) NR2E3KDM4ETP53S1PR1NPC1
SCHEMBL14381709 0.81 NR2E3 (0.56) NR2E3KDM4ETP53PTPN1S1PR1
SCHEMBL14381740 0.81 NR2E3 (0.56) NR2E3KDM4ETP53PTPN1S1PR1

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
US-20050277686-A1 Benzimidazole compounds for regulating IgE SIRCAR JAGADISH C 2005-12-15 US disclosed
US-6911462-B2 Benzimidazole compounds for regulating IgE AVANIR PHARMACEUTICALS (US) 2005-06-28 US disclosed
US-20030100582-A1 Benzimidazole compounds for regulating IgE AVANIR PHARMACEUTICALS 2003-05-29 US disclosed
US-6369091-B1 ANTIALLERGENS AVANIR PHARMACEUTICALS 2002-04-09 US disclosed
EP-1079830-A1 BENZIMIDAZOLE ANALOGS AS DOWN-REGULATORS OF IgE Avanir Pharmaceuticals (US) 2001-03-07 EP disclosed
WO-1999061020-A1 BENZIMIDAZOLE ANALOGS AS DOWN-REGULATORS OF IgE AVANIR PHARMACEUTICALS (US) 1999-12-02 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 (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-20030100582-A1 Benzimidazole compounds for regulating IgE FCER2, SERPINB1, BRPF3 NR2E3 3848/4885KDM4E 113/4885TP53 2007/4885
US-20050277686-A1 Benzimidazole compounds for regulating IgE FCER2, SERPINB1, BRPF3 NR2E3 3848/4885KDM4E 113/4885TP53 2007/4885

“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.