SCHEMBL3615035

SCHEMBL3615035

O=C(CSC(F)F)Nc1cccc(NC(=O)c2ccc(CN(Cc3cccs3)C(=O)O)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.48
HDAC6 Q9UBN7 1/20 0.48
PTGES O14684 1/20 0.43
KMT2A Q03164 9/20 0.42
MEN1 O00255 8/20 0.42
KCNK3 O14649 2/20 0.42
KCNK9 Q9NPC2 2/20 0.42
MAPT P10636 5/20 0.41
ALDH1A1 P00352 4/20 0.41
HTT P42858 3/20 0.41
POLB P06746 2/20 0.40
ESR1 P03372 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL3609374 0.81 HDAC1 (0.55) HDAC1HDAC6PTGESKMT2AMEN1
SCHEMBL8249118 0.80 NAMPT (0.43) HDAC1KMT2AMEN1KCNK3KCNK9
SCHEMBL3609527 0.76 ROCK2 (0.49) HDAC1HDAC6KMT2AMEN1KCNK3
SCHEMBL3609613 0.75 HDAC6 (0.55) HDAC1HDAC6KMT2AMEN1MAPT
SCHEMBL3616434 0.75 HDAC6 (0.55) HDAC1HDAC6KMT2AMEN1MAPT
SCHEMBL3612223 0.73 HDAC6 (0.83) HDAC1HDAC6POLBTDP1
SCHEMBL3601082 0.72 HDAC6 (0.66) HDAC1HDAC6MAPTALDH1A1HTT
SCHEMBL3611422 0.72 HDAC6 (0.62) HDAC1HDAC6KMT2AMAPTALDH1A1
SCHEMBL3610541 0.70 HDAC1 (0.63) HDAC1HDAC6MAPK1
SCHEMBL3612530 0.69 HDAC6 (0.62) HDAC1HDAC6KMT2AMEN1MAPT

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-20100152188-A1 Novel Heterocyclic Compounds ORCHID RESEARCH LABORATORIES LIMITED (IN) 2010-06-17 US claimed
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 HDAC1 307/4885HDAC6 90/4885PTGES 2031/4885

“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.