SCHEMBL6494834

SCHEMBL6494834

Cc1nnnn1Cc1c(Cl)ccc(C(=O)O)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.42
CCR1 P32246 1/20 0.39
CCR2 P41597 1/20 0.39
MAPK1 P28482 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
BUB1 O43683 1/20 0.36
SLC22A12 Q96S37 3/20 0.36
ALDH1A1 P00352 2/20 0.36
RORC P51449 2/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.34
MYC P01106 2/20 0.34
NR4A1 P22736 1/20 0.34
CTSB P07858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL6488718 0.90 P2RX7 (0.42) P2RX7CCR1CCR2MAPK1CYP1A2
SCHEMBL6480430 0.86 P2RX7 (0.40) P2RX7CCR1CCR2MAPK1CYP1A2
SCHEMBL6489754 0.84 CCR1 (0.36) P2RX7CCR1CCR2MAPK1CYP1A2
SCHEMBL6482175 0.77 MEN1 (0.39) P2RX7CCR1CCR2MAPK1CYP1A2
SCHEMBL6479768 0.77 P2RX7 (0.33) P2RX7CCR1CCR2MAPK1CYP1A2
SCHEMBL6481065 0.76 MYC (0.37) BUB1ALDH1A1LMNATSHRMYC
SCHEMBL28550946 0.74 RORC (0.38) BUB1SLC22A12ALDH1A1RORCL3MBTL1
SCHEMBL6490479 0.74 CCR1 (0.36) P2RX7CCR1CCR2MAPK1CYP1A2
SCHEMBL6491667 0.74 CCR1 (0.32) P2RX7CCR1CCR2
SCHEMBL6492717 0.73 MAPK1 (0.41) MAPK1CYP1A2CYP2C9ALDH1A1TSHR

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-20050090398-A1 Novel tetrazole derivative useful as herbicides YANAGI AKIHIKO (JP) 2005-04-28 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-20050090398-A1 Novel tetrazole derivative useful as herbicides DDT, TTI1, CYP1A1 P2RX7 1507/4885CCR1 1965/4885CCR2 1872/4885

“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.