SCHEMBL461463

SCHEMBL461463

C=CCOC(=O)Cc1c[nH]c2sccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
ALDH1A1 P00352 7/20 0.41
MAPT P10636 5/20 0.41
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
PKM P14618 2/20 0.39
CYP3A4 P08684 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33

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
SCHEMBL1992109 0.82 PKM (0.58) HTR2AHTR2CHTR2BALDH1A1MAPT
SCHEMBL460462 0.79 HTR2A (0.42) HTR2AHTR2CHTR2BALDH1A1MAPT
SCHEMBL2188020 0.76 MAPT (0.72) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL398693 0.75 HTR2A (0.51) HTR2AHTR2CHTR2BALDH1A1MAPT
SCHEMBL8234471 0.74 HTR2A (0.54) HTR2AHTR2CHTR2BALDH1A1MAPT
SCHEMBL1991168 0.74 HTR2A (0.50) HTR2AHTR2CHTR2BSMN1; SMN2NPSR1
SCHEMBL2463168 0.73 NPSR1 (0.60) HTR2AHTR2CHTR2BALDH1A1MAPT
SCHEMBL6627880 0.71 ALDH1A1 (0.43) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL5239001 0.71 HTR2A (0.57) HTR2AHTR2CHTR2BMAPTKMT2A
SCHEMBL28030373 0.70 CYP3A4 (0.56) ALDH1A1MAPTKMT2AMEN1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8101645-B2 Thienopyrroles and pyrrolothiazoles as new therapeutic agents ABBOTT LABORATORIES (US) 2012-01-24 US disclosed
US-20090209609-A1 Thienopyrroles and pyrrolothiazoles as new therapeutic agents ABBVIE INC. 2009-08-20 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-20090209609-A1 Thienopyrroles and pyrrolothiazoles as new therapeutic agents HRH2, HRH1, TSLP HTR2A 1131/4885HTR2C 1013/4885HTR2B 1179/4885

“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.