SCHEMBL3634172

SCHEMBL3634172

S=CCc1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.50
PNMT P11086 1/20 0.50
PKM P14618 1/20 0.47
TAAR1 Q96RJ0 5/20 0.46
LMNA P02545 4/20 0.42
HTT P42858 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
RAB9A P51151 2/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 1/20 0.41
CHRM2 P08172 1/20 0.41
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
AOC3 Q16853 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL16168614 0.78 IDO1 (0.52) IDO1PNMTPKMTAAR1LMNA
SCHEMBL575127 0.78 IDO1 (0.52) IDO1PNMTPKMTAAR1LMNA
SCHEMBL1143685 0.76 IDO1 (0.50) IDO1PNMTPKMTAAR1LMNA
SCHEMBL29473927 0.76 IDO1 (0.50) IDO1PNMTPKMTAAR1LMNA
SCHEMBL30801131 0.76 IDO1 (0.50) IDO1PNMTPKMTAAR1LMNA
SCHEMBL248417 0.76 IDO1 (0.50) IDO1PNMTPKMTAAR1LMNA
SCHEMBL168712 0.76 IDO1 (0.50) IDO1PNMTPKMTAAR1LMNA
SCHEMBL9275883 0.74 IDO1 (0.48) IDO1PNMTPKMTAAR1LMNA
Hydrochloric Acid SCHEMBL11666235 0.74 IDO1 (0.48) IDO1PNMTPKMTAAR1LMNA
SCHEMBL4110103 0.73 IDO1 (0.54) IDO1LMNAHTTSMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
EP-2160396-B1 THIOCARBON-PROTECTING GROUPS FOR RNA SYNTHESIS AGILENT TECHNOLOGIES INC (US) 2018-11-21 EP disclosed
EP-2651899-B1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2017-05-31 EP disclosed
EP-2476689-B1 Thiocarbon-protecting groups for RNA synthesis AGILENT TECHNOLOGIES INC (US) 2015-10-21 EP disclosed
US-9067961-B2 Thiocarbon-protecting groups for RNA synthesis AGILENT TECHNOLOGIES, INC. (US) 2015-06-30 US disclosed
US-20120238737-A1 THIOCARBON-PROTECTING GROUPS FOR RNA SYNTHESIS AGILENT TECHNOLOGIES, INC. (US) 2012-09-20 US disclosed
EP-2476689-A1 Thiocarbon-protecting groups for RNA synthesis Agilent Technologies, Inc. (US) 2012-07-18 EP disclosed
US-8202983-B2 Thiocarbon-protecting groups for RNA synthesis AGILENT TECHNOLOGIES, INC. (US) 2012-06-19 US disclosed
EP-2160396-A2 THIOCARBON-PROTECTING GROUPS FOR RNA SYNTHESIS Agilent Technologies, Inc. (US) 2010-03-10 EP disclosed
US-20090209479-A1 THIOCARBON-PROTECTING GROUPS FOR RNA SYNTHESIS AGILENT TECHNOLOGIES, INC. 2009-08-20 US disclosed
WO-2008141248-A2 THIOCARBON-PROTECTING GROUPS FOR RNA SYNTHESIS AGILENT TECHNOLOGIES, INC. (US) 2008-11-20 WO 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 (2 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-20120238737-A1 THIOCARBON-PROTECTING GROUPS FOR RNA SYNTHESIS NSUN3, NSUN2, TRDMT1 IDO1 1145/4885PNMT 863/4885PKM 3459/4885
US-20090209479-A1 THIOCARBON-PROTECTING GROUPS FOR RNA SYNTHESIS NSUN3, NSUN2, TRDMT1 IDO1 1145/4885PNMT 863/4885PKM 3459/4885

“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.