SCHEMBL7632057

SCHEMBL7632057

CCCNc1cc(OCCC)nc(N)[n+]1[O-]

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.33
ADORA2A P29274 3/20 0.33
MAPT P10636 3/20 0.32
ADORA1 P30542 2/20 0.32
TLR8 Q9NR97 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
HTT P42858 1/20 0.31
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
APAF1 O14727 1/20 0.31
CASP3 P42574 1/20 0.31
CASP6 P55212 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31

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
SCHEMBL7638274 0.93 MAPT (0.37) MAPTTLR8ALDH1A1LMNAHTT
SCHEMBL7640024 0.92 TLR8 (0.37) ADORA3ADORA2AMAPTTLR8ALDH1A1
SCHEMBL7117214 0.91 TLR8 (0.33) ADORA3ADORA2AMAPTTLR8ALDH1A1
SCHEMBL7636300 0.90 NPC1 (0.35) MAPTALDH1A1
SCHEMBL7633102 0.90 ADORA3 (0.36) ADORA3ADORA2AMAPTADORA1TLR8
SCHEMBL7125112 0.90 DNM2 (0.33) MAPTTLR8ALDH1A1LMNACDK1
SCHEMBL7117880 0.90 DNM2 (0.33) MAPTTLR8ALDH1A1LMNACDK1
SCHEMBL7117869 0.90 DNM2 (0.33) MAPTTLR8ALDH1A1LMNACDK1
SCHEMBL7121610 0.90 DNM2 (0.33) MAPTTLR8ALDH1A1LMNACDK1
SCHEMBL7121624 0.90 DNM2 (0.33) MAPTTLR8ALDH1A1LMNACDK1

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
US-6455054-B2 THERAPY FOR SKIN DISORDERS SOCIETE L'OREAL S.A. (FR) 2002-09-24 US claimed
US-20010051139-A1 TREATING SKIN AFFLICTIONS/CONDITIONS WITH 2-AMINO-4-ALKYLAMINOPYRIMIDINE 3-OXIDE COMPOUNDS SOCIETE L'OREAL S.A. (FR) 2001-12-13 US claimed
US-6455054-B2 THERAPY FOR SKIN DISORDERS SOCIETE L'OREAL S.A. (FR) 2002-09-24 US disclosed
US-20010051139-A1 TREATING SKIN AFFLICTIONS/CONDITIONS WITH 2-AMINO-4-ALKYLAMINOPYRIMIDINE 3-OXIDE COMPOUNDS SOCIETE L'OREAL S.A. (FR) 2001-12-13 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-20010051139-A1 TREATING SKIN AFFLICTIONS/CONDITIONS WITH 2-AMINO-4-ALKYLAMINOPYRIMIDINE 3-OXIDE COMPOUNDS TPMT, IL33, PTGS2 ADORA3 38/4885ADORA2A 31/4885MAPT 97/4885

“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.