SCHEMBL1789987

SCHEMBL1789987

Nc1nc(Cl)c2c(n1)N(Cc1nc3ccccc3o1)C(=O)C2=Cc1ncc[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLK2 Q86UE8 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.31
NPC1 O15118 2/20 0.31
MAPT P10636 2/20 0.31
RAB9A P51151 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31

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
SCHEMBL1789969 1.00 TLK2 (0.33) TLK2HDAC3HDAC4HDAC1HDAC7
SCHEMBL1789979 1.00 TLK2 (0.33) TLK2HDAC3HDAC4HDAC1HDAC7
SCHEMBL1787087 0.86 MAPT (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1787095 0.86 MAPT (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1787092 0.86 MAPT (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1080708 0.75 TLR7 (0.31)
SCHEMBL1080703 0.75 TLR7 (0.31)
SCHEMBL12613747 0.75 HSP90B1 (0.33) NPC1RAB9A
SCHEMBL12613588 0.74 TLK2 (0.31) TLK2
SCHEMBL1785722 0.74 HSP90AA1 (0.32) MAPTALDH1A1

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-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PONIARD PHARMACEUTICALS, INC. 2011-05-26 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-20110124634-A1 BIOACTIVE COMPOUNDS FOR TREATMENT OF CANCER AND NEURODEGENERATIVE DISEASES PARK7, BDNF, BACE1 TLK2 2866/4885HDAC3 728/4885HDAC4 334/4885

“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.