SCHEMBL17069753

SCHEMBL17069753

Cc1nncn1-c1ccc(C2CC2)c2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 15/20 0.41
CYP2C9 P11712 4/20 0.40
CYP2C19 P33261 3/20 0.40
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
SLC22A11 Q9NSA0 1/20 0.40
SLC9A3 P48764 1/20 0.34
DRD2 P14416 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC2A9 Q9NRM0 1/20 0.33
PDK2 Q15119 1/20 0.33
PDK4 Q16654 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL29362515 0.83 SLC22A12 (0.40) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL5524129 0.83 SLC22A12 (0.40) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL3418015 0.83 SLC22A12 (0.47) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL23022609 0.82 SLC22A12 (0.43) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL19867947 0.75 SLC22A12 (0.41) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL19867938 0.75 SLC22A12 (0.48) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL17069750 0.75 SLC22A12 (0.53) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL10176706 0.74 SLC22A12 (0.67) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL27951684 0.74 SLC22A12 (0.43) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL15605855 0.73 SLC22A12 (0.49) SLC22A12CYP2C9CYP2C19CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150252010-A1 MANUFACTURE OF 2-(5-BROMO-4-(4-CYCLOPROPYLNAPHTHALEN-1-YL)-4H-1,2,4-TRIAZOL-3-YLTHIO)ACETIC ACID ARDEA BIOSCIENCES, INC. 2015-09-10 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-20150252010-A1 MANUFACTURE OF 2-(5-BROMO-4-(4-CYCLOPROPYLNAPHTHALEN-1-YL)-4H-1,2,4-TRIAZOL-3-YLTHIO)ACETIC ACID CYP1B1, ABAT, ALDH18A1 SLC22A12 3336/4885CYP2C9 51/4885CYP2C19 72/4885

“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.