SCHEMBL6734341

SCHEMBL6734341

COc1cc(N=Nc2ccc(Cl)cn2)c(F)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
PLAU P00749 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EGFR P00533 2/20 0.36
PPOX P50336 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL7913558 0.71 ADRA2A (0.59) ADRA2AADRA2BADRA2CPLAUALDH1A1
SCHEMBL12602955 0.69 PPOX (0.42) HTTALDH1A1MAPTMAPK1NPC1
SCHEMBL6727175 0.68 HTT (0.51) HTTCYP1A2CYP3A4CYP2D6ALDH1A1
SCHEMBL7681163 0.68 HSP90AA1 (0.39) HTTALDH1A1MAPK1NPC1EGFR
SCHEMBL7003782 0.65 ALDH1A1 (0.47) HTTCYP3A4ALDH1A1MAPTMAPK1
SCHEMBL7535311 0.65 NPC1 (0.38) ALDH1A1MAPTMAPK1NPC1TP53
SCHEMBL6729917 0.65 KDM4E (0.38) ADRA2AADRA2BADRA2CPLAUALDH1A1
SCHEMBL12805490 0.63 TDP1 (0.45) ADRA2AADRA2BADRA2CPLAUCYP3A4
SCHEMBL31621735 0.63 TDP1 (0.45) ADRA2AADRA2BADRA2CPLAUCYP3A4
SCHEMBL8957354 0.62 KDM4E (0.40) HTTCYP3A4ALDH1A1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063580-A1 Bicyclic triazolone derivatives and a herbicides containing the same SUMITOMO CHEMICAL TAKEDA AGRO COMPANY, LIMITED (JP) 2004-04-01 US disclosed
EP-1333031-A1 BICYCLIC TRIAZOLONE DERIVATIVES AND HERBICIDES CONTAINING THE SAME Sumitomo Chemical Takeda Agro Company, Limited (JP) 2003-08-06 EP 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-20040063580-A1 Bicyclic triazolone derivatives and a herbicides containing the same WEE1, WEE2, BAK1 HTT 3076/4885ADRA2A 206/4885ADRA2B 213/4885

“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.