SCHEMBL978414

SCHEMBL978414

NC(=O)c1ccc(C(=O)Nc2ccccc2Oc2ccccc2)c(-c2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
RAB9A P51151 1/20 0.51
PYGL P06737 1/20 0.50
CACNA1H O95180 1/20 0.48
ADRA2C P18825 1/20 0.48
F10 P00742 1/20 0.48
PLG P00747 1/20 0.48
PLAT P00750 1/20 0.48
KLK1 P06870 1/20 0.48
PRSS1 P07477 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL975250 0.86 MAPT (0.53) TDP1L3MBTL1PYGLSMN1; SMN2MAPT
SCHEMBL976426 0.86 PYGM (0.59) PYGLPYGM
SCHEMBL975483 0.83 PYGM (0.56) TDP1L3MBTL1RAB9ASMN1; SMN2MAPT
SCHEMBL15464521 0.79 CYP1A2 (0.50) TDP1L3MBTL1PYGLCACNA1HF10
SCHEMBL3662131 0.76 CTNNB1 (0.44)
SCHEMBL5935096 0.76 PARP10 (0.63) SMN1; SMN2ALDH1A1KMT2A
SCHEMBL4846609 0.75 CTNNB1 (0.58) SMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL27943418 0.74 MAPT (0.67) TDP1L3MBTL1RAB9ACACNA1HADRA2C
SCHEMBL3265708 0.73 BCAT2 (0.63) TDP1L3MBTL1RAB9AMAPTCYP2C19
SCHEMBL29757946 0.73 ADRA2C (0.71) TDP1L3MBTL1RAB9AADRA2CSMN1; SMN2

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-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE INC. (CA) 2011-01-27 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-20110021771-A1 INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC11, HDAC3 TDP1 656/4885L3MBTL1 610/4885RAB9A 2879/4885

“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.