SCHEMBL6324798

SCHEMBL6324798

O=C(O)[C@H](Cc1ccccc1)N(C(=O)c1ccc(Cl)cc1Cl)C(c1ccccc1)c1cc2ccccc2o1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.39
RAB9A P51151 3/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.38
PPARA Q07869 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL6317117 0.91 NPC1 (0.37) NPC1RAB9AALDH1A1HPGDPOLB
SCHEMBL6316856 0.91 PPARA (0.39) NPC1RAB9AALDH1A1HPGDPOLB
SCHEMBL6323357 0.86 CCR5 (0.40) NPC1RAB9AATMHPGDPPARA
SCHEMBL6316554 0.83 NPC1 (0.43) NPC1RAB9AALDH1A1HPGDPOLB
SCHEMBL6316100 0.81 ADAMTS5 (0.38) PPARATMEM97SIGMAR1
SCHEMBL6319777 0.77 MME (0.35)
SCHEMBL6316090 0.76 MMP12 (0.43) ALDH1A1HPGD
SCHEMBL6316102 0.76 ERAP1 (0.41) NPC1RAB9AATMALDH1A1HPGD
SCHEMBL6316097 0.76 MMP12 (0.43) ALDH1A1HPGD
SCHEMBL6316107 0.76 ERAP1 (0.41) NPC1RAB9AATMALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6887877-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-05-03 US claimed
US-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections SHIRE BIOCHEM INC. (CA) 2003-12-11 US claimed
US-6887877-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-05-03 US disclosed
US-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections SHIRE BIOCHEM INC. (CA) 2003-12-11 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 (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-20030229053-A1 Compounds and methods for the treatment or prevention of flavivirus infections HAVCR2, ZC3HAV1, MAVS NPC1 8/4885RAB9A 1414/4885ATM 4714/4885

“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.