SCHEMBL2117038

SCHEMBL2117038

O=C(O)c1csc2ccccc2c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.54
HDAC4 P56524 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC7 Q8WUI4 1/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HDAC9 Q9UKV0 1/20 0.54
HDAC5 Q9UQL6 1/20 0.54
MAOB P27338 3/20 0.52
CNR2 P34972 1/20 0.50
HPGD P15428 3/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALOX15 P16050 1/20 0.45
MAPT P10636 2/20 0.45

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
SCHEMBL72502 0.86 HDAC3 (0.65) HDAC3HDAC4HDAC1HDAC7HDAC2
Hydrochloric Acid SCHEMBL4254555 0.85 HDAC3 (0.62) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6288503 0.84 HDAC3 (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11256797 0.84 MAOB (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11295403 0.79 HDAC3 (0.56) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11262565 0.76 KEAP1 (0.55) MAOBLMNAALDH1A1SMN1; SMN2MAPT
SCHEMBL11258847 0.76 MAPT (0.50) MAOBHPGDLMNAHTTALDH1A1
SCHEMBL11268696 0.76 KDM4E (0.51) LMNAALDH1A1MAPTTP53
SCHEMBL10383094 0.76 MAOB (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2908610 0.76 HDAC3 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120093917-A1 METNASE AND INTNASE INHIBITORS AND THEIR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF NEW MEXICO 2012-04-19 US claimed
WO-2010114919-A2 METNASE AND INTNASE INHIBITORS AND THEIR USE IN TREATING CANCER STC.UNM (US) 2010-10-07 WO claimed
US-20120093917-A1 METNASE AND INTNASE INHIBITORS AND THEIR USE IN TREATING CANCER THE REGENTS OF THE UNIVERSITY OF NEW MEXICO 2012-04-19 US disclosed
US-4320133-A Penicillins and their antibacterial use SANDOZ LTD. (CH) 1982-03-16 US disclosed
EP-0003115-A1 Penicillins, per se and for use as antibacterially active antibiotics and their production SANDOZ AG (CH) 1979-07-25 EP 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-20120093917-A1 METNASE AND INTNASE INHIBITORS AND THEIR USE IN TREATING CANCER RNASE1, DCLRE1B, FEN1 HDAC3 1386/4885HDAC4 2052/4885HDAC1 642/4885

“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.