SCHEMBL5654874

SCHEMBL5654874

O=C(O)C1Cc2ccc3[nH]ccc3c2S1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 16/20 0.39
HTR1B P28222 11/20 0.39
MAPK14 Q16539 1/20 0.32
GOT1 P17174 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
ENPP2 Q13822 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL14058617 0.73 CYP1A2 (0.40) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL5420045 0.70 ENPP2 (0.43) MAPK14KDM4EALDH1A1HPGDENPP2
SCHEMBL19216830 0.70 HTR1D (0.57) HTR1DHTR1B
SCHEMBL12060780 0.66 AKR1B1 (0.38) ALDH1A1HPGDNPC1MAPTPKM
SCHEMBL12060765 0.66 NOTUM (0.37) ALDH1A1HSD17B10NPC1MAPTPKM
SCHEMBL12060933 0.66 MAPT (0.36) ALDH1A1HSD17B10NPC1MAPTPKM
SCHEMBL7219452 0.66 HTR1D (0.43) HTR1DHTR1B
SCHEMBL533193 0.63 MAPT (0.44) HTR1DHTR1BMAPK14KDM4EALDH1A1
SCHEMBL12060919 0.63 AADAT (0.39) ALDH1A1HPGDHSD17B10NPC1MAPT
SCHEMBL12061369 0.63 CA1 (0.42) KDM4EALDH1A1HPGDHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7166632-B2 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESEARCH LIMITED (GB) 2007-01-23 US disclosed
US-20050197380-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESEARCH LIMITED 2005-09-08 US disclosed
US-20050192334-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESEARCH LIMITED 2005-09-01 US disclosed
US-20050187282-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2c, receptor ligands VERNALIS RESEARCH LIMITED 2005-08-25 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 (3 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-20050197380-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands HTR2C, HTR2A, HTR1A HTR1D 11/4885HTR1B 8/4885MAPK14 2496/4885
US-20050192334-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands HTR2C, HTR2A, HTR1A HTR1D 11/4885HTR1B 8/4885MAPK14 2496/4885
US-20050187282-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2c, receptor ligands HTR2C, HTR2A, HTR1A HTR1D 11/4885HTR1B 8/4885MAPK14 2496/4885

“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.