SCHEMBL1992109

SCHEMBL1992109

CCOC(=O)Cc1c[nH]c2sccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.58
KMT2A Q03164 5/20 0.48
TDP1 Q9NUW8 2/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 3/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HCAR2 Q8TDS4 1/20 0.37
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36

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
SCHEMBL399849 0.85 HTR2A (0.50) PKMKMT2AHTR2AHTR2CHTR2B
SCHEMBL461463 0.82 HTR2A (0.42) PKMKMT2ATDP1HTR2AHTR2C
SCHEMBL8234471 0.80 HTR2A (0.54) PKMKMT2AHTR2AHTR2CHTR2B
SCHEMBL5239001 0.79 HTR2A (0.57) PKMKMT2AHTR2AHTR2CHTR2B
SCHEMBL398693 0.79 HTR2A (0.51) KMT2ATDP1HTR2AHTR2CHTR2B
SCHEMBL8233098 0.78 HTR2A (0.52) PKMKMT2AHTR2AHTR2CHTR2B
SCHEMBL20631047 0.78 HTR2A (0.62) KMT2AHTR2AHTR2CHTR2BALDH1A1
SCHEMBL1991168 0.77 HTR2A (0.50) HTR2AHTR2CHTR2BSMN1; SMN2
SCHEMBL400018 0.77 PKM (0.58) PKMKMT2ATDP1HTR2AHTR2C
SCHEMBL2684237 0.74 PKM (0.43) PKMKMT2ATDP1MAPTSMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2001868-B1 INHIBITORS OF THE INTERACTION BETWEEN MDM2 AND P53 JANSSEN PHARMACEUTICA NV (BE) 2013-07-17 EP disclosed
US-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-23 US disclosed
EP-1648904-B1 N-SULFONYLHETEROCYCLOPYRROLYLALKYLAMINE COMPOUNDS AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH CORP (US) 2007-08-22 EP disclosed
US-7220756-B2 N-sulfonylheterocyclopyrrolyl-alkylamine compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-05-22 US disclosed
US-7220756-B2 N-sulfonylheterocyclopyrrolyl-alkylamine compounds as 5-hydroxytryptamine-6 ligands WYETH (US) 2007-05-22 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-20110152243-A1 NOVEL THIENOPYRROLE COMPOUNDS TPMT, TSLP, THPO PKM 833/4885KMT2A 3648/4885TDP1 2210/4885

“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.