SCHEMBL23295264

SCHEMBL23295264

c1ccc2sc(SC3CCCC3)nc2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TXN P10599 1/20 0.70
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
TSHR P16473 1/20 0.67
ALDH1A1 P00352 6/20 0.60
HPGD P15428 5/20 0.60
TDP1 Q9NUW8 2/20 0.60
HSD17B10 Q99714 4/20 0.58
FBP1 P09467 3/20 0.58
ALOX15 P16050 2/20 0.58
ADRA2A P08913 1/20 0.58
ADORA3 P0DMS8 1/20 0.58
DRD2 P14416 1/20 0.58
ADRA2B P18089 1/20 0.58
ADRA2C P18825 1/20 0.58
DRD1 P21728 1/20 0.58
MC5R P33032 1/20 0.58
OPRM1 P35372 1/20 0.58
DRD3 P35462 1/20 0.58
OPRK1 P41145 1/20 0.58

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
SCHEMBL368458 0.98 TXN (0.73) TXNNPC1RAB9ATSHRALDH1A1
SCHEMBL21047920 0.84 HSD17B10 (0.58) TXNNPC1RAB9ATSHRALDH1A1
Hydrochloric Acid SCHEMBL4768521 0.84 MEN1 (0.56) TXNNPC1RAB9ATSHRALDH1A1
SCHEMBL8092636 0.83 TXN (1.00) TXNNPC1RAB9ATSHRALDH1A1
SCHEMBL366021 0.80 NPC1 (1.00) TXNNPC1RAB9ATSHRALDH1A1
SCHEMBL11536996 0.80 CYP1A2 (0.63) TXNNPC1RAB9ATSHRALDH1A1
SCHEMBL17500587 0.80 HSD17B10 (0.53) TXNNPC1RAB9ATSHRALDH1A1
SCHEMBL7055245 0.79 ALDH1A1 (0.67) TXNNPC1RAB9ATSHRALDH1A1
SCHEMBL10532201 0.78 MAOB (0.53) TXNNPC1RAB9ATSHRALDH1A1
SCHEMBL212831 0.78 CYP1A2 (0.65) TXNNPC1RAB9ATSHRALDH1A1

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
EP-3592729-B1 CATALYTIC C-X-BOND METATHESIS THROUGH ARYLATION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2021-06-30 EP disclosed
EP-3592729-B1 CATALYTIC C-X-BOND METATHESIS THROUGH ARYLATION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2021-06-30 EP disclosed
US-20210130286-A1 CATALYTIC C-X-BOND METATHESIS THROUGH ARYLATION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2021-05-06 US disclosed
US-20210130286-A1 CATALYTIC C-X-BOND METATHESIS THROUGH ARYLATION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2021-05-06 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-20210130286-A1 CATALYTIC C-X-BOND METATHESIS THROUGH ARYLATION AOX1, TYR, CXXC4 TXN 607/4885NPC1 2155/4885RAB9A 2781/4885

“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.