SCHEMBL5420045

SCHEMBL5420045

O=C(O)C1Cc2cc3cc[nH]c3cc2S1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PTPRC P08575 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPRB P23467 1/20 0.39
PTPRE P23469 1/20 0.39
PTPN6 P29350 1/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
TYR P14679 1/20 0.37
LTA4H P09960 1/20 0.36
MAPK14 Q16539 4/20 0.36
GPR84 Q9NQS5 1/20 0.34
CYP2A6 P11509 1/20 0.34

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
SCHEMBL5654874 0.70 HTR1D (0.39) ENPP2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL12060932 0.68 NPC1 (0.39) KDM4EHPGDPTPN2PTPN1PTPN6
SCHEMBL31361549 0.68 MAPT (0.39) KDM4ENPC1MAPTPKMRAB9A
SCHEMBL1105143 0.68 NPC1 (0.39) KDM4EALDH1A1HPGDPTPN2PTPN1
SCHEMBL11919879 0.68 NPC1 (0.39) NPC1MAPTPKMRAB9A
SCHEMBL24193321 0.68 MAPT (0.39) KDM4ENPC1MAPTPKMRAB9A
SCHEMBL12060918 0.67 ALDH1A1 (0.38) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL7599608 0.66 MAPT (0.54) KDM4EALDH1A1HSD17B10NPC1MAPT
SCHEMBL31316696 0.66 MAPT (0.54) KDM4EALDH1A1HSD17B10NPC1MAPT
SCHEMBL8362930 0.66 HSD17B10 (0.44) KDM4EALDH1A1HPGDHSD17B10NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070099981-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands VERNALIS RESEARCH LIMITED 2007-05-03 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-20070099981-A1 Condensed indoline derivatives and their use as 5HT, in particular 5HT2C, receptor ligands HTR2C, HTR2A, HTR1A ENPP2 1659/4885KDM4E 3667/4885ALDH1A1 1748/4885

“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.