SCHEMBL3345018

SCHEMBL3345018

NC(=O)/C=C/c1c[c]ccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
PLIN1 O60240 2/20 0.39
LMNA P02545 2/20 0.39
RECQL P46063 2/20 0.39
PLIN5 Q00G26 2/20 0.39
ABHD5 Q8WTS1 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
TNKS O95271 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39

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
SCHEMBL3345021 1.00 MAPT (0.39) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL1267984 0.83 HCAR2 (0.61) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL1267986 0.83 HCAR2 (0.61) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL28785098 0.81 HCAR2 (0.59) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL27417092 0.77 CA12 (0.53) MAPTLMNACYP1A2CYP2C9HCAR2
SCHEMBL3344787 0.77 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL3344782 0.77 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL8810450 0.77 CA12 (0.53) MAPTLMNACYP1A2CYP2C9HCAR2
SCHEMBL3344879 0.77 ALDH1A1 (0.44) MAPTHDAC3HDAC4HDAC1HDAC2
SCHEMBL3344873 0.77 ALDH1A1 (0.44) MAPTHDAC3HDAC4HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 US disclosed
WO-2010038081-A2 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB (SE) 2010-04-08 WO 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD MAPT 3947/4885HDAC3 1200/4885HDAC4 2266/4885

“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.