SCHEMBL18353073

SCHEMBL18353073

Cc1c(C(=O)O)nn(-c2ccccc2)c1-c1ccncc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.54
CNR2 P34972 1/20 0.54
CYP2C9 P11712 3/20 0.54
CYP2C19 P33261 3/20 0.54
CYP1A2 P05177 1/20 0.54
KDM4E B2RXH2 2/20 0.51
MAPK1 P28482 1/20 0.50
ALDH1A1 P00352 5/20 0.49
MAPK10 P53779 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
HTT P42858 1/20 0.47
NTRK1 P04629 1/20 0.46
CYP3A4 P08684 2/20 0.46
RIPK1 Q13546 1/20 0.46
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
SRC P12931 1/20 0.45
BRAF P15056 1/20 0.45

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
SCHEMBL2915869 0.91 CYP2C9 (0.63) CNR1CNR2CYP2C9CYP2C19CYP1A2
SCHEMBL2918377 0.85 CNR1 (0.51) CNR1CNR2CYP2C9CYP2C19CYP1A2
SCHEMBL16197705 0.84 CNR1 (0.57) CNR1CNR2CYP2C9CYP2C19CYP1A2
SCHEMBL18353617 0.84 ALDH1A1 (0.64) CNR1CNR2CYP2C9CYP2C19KDM4E
SCHEMBL29838955 0.82 CYP1A2 (0.57) CNR1CNR2CYP2C9CYP2C19CYP1A2
SCHEMBL30936703 0.79 CNR1 (0.60) CNR1CNR2CYP2C9CYP2C19CYP1A2
SCHEMBL25197049 0.79 MDM2 (0.62) CNR1CNR2CYP2C9CYP2C19CYP1A2
SCHEMBL277784 0.78 CNR1 (0.62) CNR1CNR2CYP1A2CA1CA2
Hydrochloric Acid SCHEMBL278149 0.77 CNR1 (0.61) CNR1CNR2CYP1A2CA1CA2
SCHEMBL253744 0.77 KDM4E (0.60) CYP2C9CYP2C19CYP1A2KDM4EMAPK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428049-B2 TRPA1 modulators ALGOMEDIX, INC. (US) 2019-10-01 US disclosed
US-20190016701-A1 TRPA1 MODULATORS ALGOMEDIX, INC. (US) 2019-01-17 US disclosed
US-9951046-B2 TRPA1 modulators ALGOMEDIX, INC. (US) 2018-04-24 US disclosed
US-9951046-B2 TRPA1 modulators ALGOMEDIX, INC. (US) 2018-04-24 US disclosed
US-20170001983-A1 TRPA1 MODULATORS ALGOMEDIX, INC. 2017-01-05 US disclosed
US-20170001983-A1 TRPA1 MODULATORS ALGOMEDIX, INC. 2017-01-05 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 (3 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-10428049-B2 TRPA1 modulators TRPA1, TRPV1, TRPV2 CNR1 104/4885CNR2 54/4885CYP2C9 2849/4885
US-20170001983-A1 TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 CNR1 104/4885CNR2 54/4885CYP2C9 2849/4885
US-20190016701-A1 TRPA1 MODULATORS TRPA1, TRPV1, TRPV2 CNR1 104/4885CNR2 54/4885CYP2C9 2849/4885

“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.