SCHEMBL6720108

SCHEMBL6720108

CCCCOc1c[c][c]cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
GLA P06280 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
BACE1 P56817 1/20 0.37
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CSNK2A1 P68400 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 1/20 0.35
ESR1 P03372 2/20 0.34
KCNH2 Q12809 1/20 0.33

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
SCHEMBL6723426 0.85 CYP1A2 (0.47) SMN1; SMN2GLACYP1A2CYP2C9CYP2C19
SCHEMBL6719887 0.79 CYP1A2 (0.41) CYP1A2CYP2C9CYP2C19MAPTESR1
SCHEMBL6717312 0.77 NR5A1 (0.44) CYP1A2CYP2C9CYP2C19ALDH1A1MAPT
SCHEMBL25172613 0.76 GLA (0.42) SMN1; SMN2GLACYP1A2CYP2C9CYP2C19
SCHEMBL160991 0.76 SMN1; SMN2 (0.45) SMN1; SMN2GLACYP1A2CYP2C9CYP2C19
SCHEMBL4888139 0.76 SMN1; SMN2 (0.42) SMN1; SMN2GLACYP1A2CYP2C9CYP2C19
SCHEMBL10752997 0.74 SMN1; SMN2 (0.44) SMN1; SMN2GLACYP1A2CYP2C9CYP2C19
SCHEMBL7799554 0.74 SMN1; SMN2 (0.54) SMN1; SMN2GLACYP1A2CYP2C9CYP2C19
SCHEMBL6714209 0.73 MAPT (0.41) CYP1A2CYP2C9CYP2C19ATMALDH1A1
SCHEMBL12967934 0.71 GLA (0.51) SMN1; SMN2GLACYP1A2CYP2C9CYP2C19

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-20040142952-A1 Triazoloquinazoline and pyrazolotriazolopyrimidine derivatives, medicinal compositions, adenosine a3 receptor affinity agents, ocular tension lowering agents, preparations for preventing and treating glaucoma and method of lowering ocular tension OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2004-07-22 US disclosed
EP-1364953-A1 TRIAZOLOQUINAZOLINE AND PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES, MEDICINAL COMPOSITIONS, ADENOSINE A3 RECEPTOR AFFINITY AGENTS, OCULAR TENSION LOWERING AGENTS, PREPARATIONS FOR PREVENTING AND TREATING GLAUCOMA AND METHOD OF LOWERING OCULAR TENSION OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2003-11-26 EP 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-20040142952-A1 Triazoloquinazoline and pyrazolotriazolopyrimidine derivatives, medicinal compositions, adenosine a3 receptor affinity agents, ocular tension lowering agents, preparations for preventing and treating glaucoma and method of lowering ocular tension ADORA3, ADORA1, ADORA2A SMN1; SMN2 4846/4885GLA 2891/4885CYP1A2 229/4885

“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.