SCHEMBL22018147

SCHEMBL22018147

Nc1cc2ccccc2c2[nH]c(C3COC3)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 10/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
TMEM97 Q5BJF2 5/20 0.33
SIGMAR1 Q99720 3/20 0.33
DRD3 P35462 3/20 0.33
CYP1A2 P05177 1/20 0.33
KCNH2 Q12809 1/20 0.33
TSPO P30536 1/20 0.32
HTR2B P41595 1/20 0.32
APAF1 O14727 1/20 0.32
CDC25B P30305 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32

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
SCHEMBL20970141 0.78 ADORA3 (0.43) ADORA3ADORA2AADORA1TMEM97SIGMAR1
SCHEMBL10725453 0.64 KDM4E (0.38) ALDH1A1POLBMAPTHPGDTSHR
SCHEMBL29501901 0.63 ADORA3 (0.60) ADORA3ADORA2AADORA1TMEM97SIGMAR1
SCHEMBL20970121 0.63 ADORA3 (0.56) ADORA3ADORA2AADORA1TMEM97SIGMAR1
SCHEMBL20970112 0.61 ADORA3 (0.43) ADORA3ADORA2AADORA1TMEM97SIGMAR1
SCHEMBL19503480 0.61 ADORA3 (0.48) ADORA3ADORA2AADORA1TMEM97SIGMAR1
SCHEMBL20970138 0.61 ADORA3 (0.43) ADORA3ADORA2AADORA1TMEM97SIGMAR1
SCHEMBL20970111 0.60 ADORA3 (0.47) ADORA3ADORA2AADORA1ALDH1A1POLB
SCHEMBL20970142 0.60 ADORA3 (0.47) ADORA3ADORA2AADORA1ALDH1A1POLB
SCHEMBL12897717 0.59 ALDH1A1 (0.41) ALDH1A1POLBMAPTHPGDAPAF1

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-11072612-B2 NLRP3 modulators INNATE TUMOR IMMUNITY, INC. (US) 2021-07-27 US disclosed
US-20200157097-A1 NLRP3 MODULATORS INNATE TUMOR IMMUNITY INC (US) 2020-05-21 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-11072612-B2 NLRP3 modulators NLRP3, NLRP1, NOD1 ADORA3 486/4885ADORA2A 379/4885ADORA1 289/4885
US-20200157097-A1 NLRP3 MODULATORS NLRP3, NLRP1, NOD1 ADORA3 486/4885ADORA2A 379/4885ADORA1 289/4885

“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.