SCHEMBL2300904

SCHEMBL2300904

CCOc1cccc(-c2ccccc2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.57
NPC1 O15118 2/20 0.57
ALDH1A1 P00352 1/20 0.57
MAPK1 P28482 1/20 0.57
ADORA1 P30542 4/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
BTK Q06187 1/20 0.53
ASIC3 Q9UHC3 1/20 0.46
MAPK8 P45983 1/20 0.45
FFAR4 Q5NUL3 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
KCNH2 Q12809 1/20 0.44
ADORA2A P29274 3/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
PTGER2 P43116 1/20 0.41

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
SCHEMBL16511922 0.86 BTK (0.65) RAB9ANPC1ALDH1A1MAPK1ADORA1
SCHEMBL11204150 0.85 RAB9A (0.46) RAB9ANPC1ALDH1A1MAPK1ADORA1
SCHEMBL2525163 0.84 MAPK8 (0.56) RAB9ANPC1ALDH1A1MAPK1ADORA1
SCHEMBL5331564 0.83 SOAT1 (0.50) RAB9AMEN1KMT2A
SCHEMBL28051936 0.82 RAB9A (0.50) RAB9ANPC1ALDH1A1MAPK1ADORA1
SCHEMBL13053312 0.82 CYP2A6 (0.57) RAB9ANPC1MEN1KMT2ABTK
SCHEMBL17472565 0.82 BTK (0.47) RAB9ANPC1ALDH1A1MAPK1ADORA1
SCHEMBL731199 0.79 NPC1 (0.54) RAB9ANPC1ALDH1A1MAPK1ADORA1
SCHEMBL1360819 0.79 RAB9A (0.60) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL5103779 0.78 MEN1 (0.65) RAB9ANPC1ALDH1A1MAPK1ADORA1

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-20220119351-A1 SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2022-04-21 US disclosed
US-20110195993-A1 PPAR AGONIST COMPOUNDS, PREPARATION AND USES GENFIT (FR) 2011-08-11 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 (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-20110195993-A1 PPAR AGONIST COMPOUNDS, PREPARATION AND USES PPARD, PPARA, PPARG RAB9A 2825/4885NPC1 378/4885ALDH1A1 1483/4885
US-20220119351-A1 SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA5, CHRNA2 RAB9A 617/4885NPC1 2315/4885ALDH1A1 1011/4885

“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.