SCHEMBL4247743

SCHEMBL4247743

O=C(NCC#Cc1ccc(C(=S)NO)cc1)c1cc2cc(OC3CCN(CC(F)(F)F)CC3)ccc2o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.39
HRH3 Q9Y5N1 2/20 0.36
CSF1R P07333 1/20 0.36
FLT3 P36888 1/20 0.36
HDAC3 O15379 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
POLB P06746 1/20 0.35
P2RX3 P56373 3/20 0.35
P2RX2 Q9UBL9 3/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 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
SCHEMBL4815442 0.93 NAMPT (0.39) NAMPTHRH3CSF1RFLT3HDAC3
SCHEMBL4254727 0.88 HRH3 (0.38) HRH3HDAC3HDAC1HDAC2HDAC4
SCHEMBL4251736 0.87 HPGD (0.42) NAMPTHRH3CSF1RFLT3HDAC3
SCHEMBL4256664 0.86 ACACB (0.41) NAMPTHRH3HDAC3HDAC1HDAC2
SCHEMBL5499081 0.81 HRH3 (0.41) HRH3HDAC3HDAC1HDAC2HDAC4
SCHEMBL444738 0.80 HPGD (0.44) NAMPTCSF1RFLT3HDAC3HDAC1
Hydrochloric Acid SCHEMBL4815311 0.80 HRH3 (0.40) HRH3HDAC3HDAC1HDAC2HDAC4
SCHEMBL4820031 0.79 ACACB (0.42) HRH3HDAC3HDAC1HDAC2HDAC4
SCHEMBL4247487 0.79 ADAM17 (0.44) FLT3HDAC1HDAC8HDAC6DRD2
SCHEMBL4253905 0.78 ALDH1A1 (0.45) HRH3HDAC1DRD2DRD3

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-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE PHARMACYCLICS, INC. (US) 2009-01-22 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-20090023798-A1 THIOHYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC8, HDAC3 NAMPT 179/4885HRH3 198/4885CSF1R 4073/4885

“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.