SCHEMBL1682033

SCHEMBL1682033

Cc1ccc(NN=C(N)C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
MAPT P10636 8/20 0.42
GAA P10253 5/20 0.40
ALDH1A1 P00352 5/20 0.40
HTR3E A5X5Y0 1/20 0.39
SLC22A2 O15244 1/20 0.39
SLC22A1 O15245 1/20 0.39
SLC22A3 O75751 1/20 0.39
HTR3B O95264 1/20 0.39
PLAU P00749 1/20 0.39
HTR3A P46098 1/20 0.39
HTR3D Q70Z44 1/20 0.39
HTR3C Q8WXA8 1/20 0.39

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
SCHEMBL1682031 1.00 GRIN2D (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6132352 0.81 MAPT (0.52) MAPTGAAALDH1A1HTR3EHTR3B
SCHEMBL6132354 0.81 MAPT (0.52) MAPTGAAALDH1A1HTR3EHTR3B
SCHEMBL1681834 0.78 MAPT (0.39) MAPTGAAALDH1A1NPSR1MEN1
SCHEMBL6132428 0.77 CYP1B1 (0.49) MAPTGAAALDH1A1NPSR1MEN1
SCHEMBL6132425 0.77 CYP1B1 (0.49) MAPTGAAALDH1A1NPSR1MEN1
Hydrochloric Acid SCHEMBL11372554 0.76 GAA (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL20856381 0.72 LDHA (0.52) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL20856379 0.72 LDHA (0.52) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL6132281 0.72 NPC1 (0.43) MAPTALDH1A1MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011049232-A1 DIARYLTRIAZOLE DERIVATIVE AS INSECTICIDE, MITICIDE, NEMATICIDE OR SOIL PESTICIDE ISHIHARA SANGYO KAISHA, LTD. (JP) 2011-04-28 WO disclosed
US-6927230-B2 Triazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-09 US disclosed
EP-1442026-A1 TRIAZOLE DERIVATIVES AS CYCLOOXYGENASE (COX) INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-04 EP disclosed
US-20030191155-A1 Triazole derivatives ASTELLAS PHARMA INC. (JP) 2003-10-09 US disclosed
WO-2003040110-A1 TRIAZOLE DERIVATIVES AS CYCLOOXYGENASE (COX) INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-15 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-20030191155-A1 Triazole derivatives CBR1, CBR3, CYP1B1 GRIN2D 1515/4885GRIN3B 1283/4885GRIN1 473/4885

“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.