SCHEMBL3607234

SCHEMBL3607234

Nc1ccccc1NC(=O)Cc1csc(N(Cc2ccncc2)C(=O)O)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.45
HDAC1 Q13547 4/20 0.45
MAPT P10636 5/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
PRKACA P17612 1/20 0.40
ROCK1 Q13464 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.40
TSHR P16473 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40

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
SCHEMBL3609508 0.90 GSTO1 (0.47) HDAC3HDAC1MAPTGAAALDH1A1
SCHEMBL3604443 0.86 MEN1 (0.41) HDAC3HDAC1MAPTGAAALDH1A1
SCHEMBL3608603 0.85 HDAC3 (0.42) HDAC3HDAC1MAPTGAAALDH1A1
SCHEMBL3607165 0.83 PKM (0.42) HDAC3HDAC1MAPTGAAALDH1A1
SCHEMBL3602684 0.80 MMP13 (0.43) MAPTGAAALDH1A1KDM4EPRKACA
SCHEMBL3602408 0.80 BLM (0.43) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL3601049 0.79 GSTO1 (0.48) HDAC3MAPTGAAALDH1A1LMNA
SCHEMBL8245740 0.76 HDAC3 (0.49) HDAC3HDAC1MAPTGAAALDH1A1
SCHEMBL3597144 0.74 SMN1; SMN2 (0.57) MAPTGAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL3600139 0.73 GSTO1 (0.52) HDAC1MAPTGAAKDM4EMEN1

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-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 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-20100152188-A1 Novel Heterocyclic Compounds CYP11B2, CYP3A5, CYP11B1 HDAC3 255/4885HDAC1 307/4885MAPT 2986/4885

“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.