SCHEMBL6488718

SCHEMBL6488718

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 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
ALDH1A1 P00352 2/20 0.36
RORC P51449 2/20 0.35
LMNA P02545 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL6494834 0.90 P2RX7 (0.42) P2RX7CCR1CCR2MAPK1CYP1A2
SCHEMBL6480430 0.86 P2RX7 (0.40) P2RX7CCR1CCR2MAPK1CYP1A2
SCHEMBL6490479 0.84 CCR1 (0.36) P2RX7CCR1CCR2MAPK1CYP1A2
SCHEMBL6495177 0.77 CYP1A2 (0.36) CCR1CCR2MAPK1CYP1A2CYP2C9
SCHEMBL6479768 0.77 P2RX7 (0.33) P2RX7CCR1CCR2MAPK1CYP1A2
SCHEMBL6490236 0.76 ENPP2 (0.37) ALDH1A1NPC1TP53RAB9A
SCHEMBL6491667 0.76 CCR1 (0.32) P2RX7CCR1CCR2
SCHEMBL28538647 0.74 RORC (0.38) ALDH1A1RORCLMNASLC22A12TP53
SCHEMBL6489754 0.74 CCR1 (0.36) P2RX7CCR1CCR2MAPK1CYP1A2
SCHEMBL6481316 0.73 MAPK1 (0.41) MAPK1CYP1A2CYP2C9ALDH1A1LMNA

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 3 patents. 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
EP-1476437-A1 NOVEL TETRAZOLE DERIVATIVE USEFUL AS HERBICIDES Bayer CropScience AG (DE) 2004-11-17 EP disclosed
WO-2003066607-A1 NOVEL TETRAZOLE DERIVATIVE USEFUL AS HERBICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2003-08-14 WO 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.