SCHEMBL12404142

SCHEMBL12404142

COC(=O)Cc1cccc(Cn2ccc3ccccc32)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 4/20 0.51
HDAC6 Q9UBN7 3/20 0.51
HDAC1 Q13547 2/20 0.51
HDAC2 Q92769 2/20 0.51
HDAC10 Q969S8 2/20 0.51
HDAC9 Q9UKV0 2/20 0.51
TSHR P16473 2/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 2/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 2/20 0.46
TP53 P04637 1/20 0.46
SLC7A5 Q01650 1/20 0.46
HTR6 P50406 1/20 0.46
POLB P06746 1/20 0.45
MAPK1 P28482 2/20 0.45
HDAC11 Q96DB2 2/20 0.45

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
SCHEMBL6087475 0.88 HDAC8 (0.61) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL27475773 0.85 HDAC8 (0.62) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL6085688 0.82 HDAC1 (0.54) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL30218812 0.78 KMT2A (0.63) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL6087249 0.78 KMT2A (0.63) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL12400239 0.77 SLC7A5 (0.68) TSHRMAPTHPGDNPC1RAB9A
SCHEMBL29827118 0.76 KMT2A (0.65) HSD17B10NPC1RAB9ASMN1; SMN2HTT
SCHEMBL5336099 0.76 KMT2A (0.65) HSD17B10NPC1RAB9ASMN1; SMN2HTT
SCHEMBL6193094 0.76 PLA2G10 (0.57) HDAC8HDAC6HDAC1HDAC2HDAC10
SCHEMBL6194236 0.75 HDAC8 (0.55) HDAC8HDAC6HDAC1HDAC2HDAC10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190343-A1 HIV-1 FUSION INHIBITORS AND METHODS TOURO UNIVERSITY (US) 2011-08-04 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-20110190343-A1 HIV-1 FUSION INHIBITORS AND METHODS FLI1, API5, MAVS HDAC8 1779/4885HDAC6 2569/4885HDAC1 1208/4885

“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.