SCHEMBL3789243

SCHEMBL3789243

COC(=O)C(Cc1ccccc1)NC(=O)Cc1cn2cc(-c3ccoc3)cc(C(F)(F)F)c2n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.45
HDAC6 Q9UBN7 6/20 0.45
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
TACR3 P29371 1/20 0.39
RAB9A P51151 1/20 0.38
MDM4 O15151 1/20 0.37
MDM2 Q00987 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL3793511 0.89 HDAC1 (0.38) HDAC1HDAC6
SCHEMBL3789797 0.88 HDAC1 (0.43) HDAC1HDAC6ALDH1A1NOS3NOS1
SCHEMBL3792510 0.88 TAS1R3 (0.38) HDAC1HDAC6ALDH1A1NOS3NOS1
SCHEMBL3788865 0.87 HDAC1 (0.35) HDAC1HDAC6ALDH1A1
SCHEMBL3795001 0.86 FNTA (0.40) HDAC1HDAC6ALDH1A1KMT2AHTT
SCHEMBL3797200 0.86 CCR2 (0.39) HDAC1HDAC6
SCHEMBL3790994 0.85 HDAC1 (0.34) HDAC1HDAC6
SCHEMBL3790970 0.83 ALDH1A1 (0.46) ALDH1A1LMNAKMT2ARAB9AHPGD
SCHEMBL3787667 0.82 CTSS (0.41) ALDH1A1RAB9AHPGD
SCHEMBL3795152 0.82 TSHR (0.40) ALDH1A1LMNAKDM4EHPGD

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-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US claimed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 US disclosed
US-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections GENELABS TECHNOLOGIES, INC. 2010-08-12 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-20100204265-A1 Certain Nitrogen Containing Bicyclic Chemical Entities for Treating Viral Infections OAT, HAVCR2, CPS1 HDAC1 936/4885HDAC6 746/4885MEN1 4257/4885

“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.