SCHEMBL6019227

SCHEMBL6019227

O=C(Nc1ccccc1-c1ccccn1)c1ccccc1Cl

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C19 P33261 1/20 0.60
KDR P35968 1/20 0.60
PABPC1 P11940 1/20 0.59
EIF4H Q15056 1/20 0.59
GRM4 Q14833 5/20 0.58
MAPT P10636 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
CASP3 P42574 1/20 0.53
JAK2 O60674 1/20 0.51
TYK2 P29597 1/20 0.51
ALDH1A1 P00352 3/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL6018724 0.88 TDP1 (0.70) HPGDKDRPABPC1EIF4HMAPT
SCHEMBL28555588 0.81 KDR (0.57) HPGDKDRGRM4NPC1RAB9A
SCHEMBL1018130 0.80 SMO (0.71) GRM4MAPT
SCHEMBL12214921 0.80 GRM4 (0.62) GRM4MAPT
SCHEMBL9867402 0.80 KDR (0.70) HPGDCYP1A2CYP2C19KDRPABPC1
SCHEMBL6019417 0.80 KDM4E (0.52) HPGDMAPTTDP1NPC1RAB9A
SCHEMBL10772697 0.77 HDAC3 (0.45) CYP1A2MAPTNPC1RAB9AALDH1A1
SCHEMBL27508370 0.77 CHRNB2 (0.45) CYP1A2MAPTNPC1RAB9AALDH1A1
SCHEMBL6020308 0.76 MAPK1 (0.66) HPGDNPC1RAB9AALDH1A1LMNA
SCHEMBL5225094 0.76 KMT2A (0.69) HPGDGRM4TDP1NPC1RAB9A

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-20060178513-A1 Pyridinylanilides BAYER CROPSCIENCE AG (DE) 2006-08-10 US disclosed
EP-1656020-A2 PYRIDINYLANILIDES Bayer CropScience AG (DE) 2006-05-17 EP disclosed
WO-2005004606-A2 PYRIDINYLANILIDES BAYER CROPSCIENCE AG (DE) 2005-01-20 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-20060178513-A1 Pyridinylanilides C3AR1, C5, PADI1 HPGD 2195/4885CYP1A2 23/4885CYP2C19 51/4885

“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.