SCHEMBL13630755

SCHEMBL13630755

c1cc(COCOCc2ccncc2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.46
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
TSHR P16473 1/20 0.42
MGMT P16455 1/20 0.40
ABCB1 P08183 1/20 0.39
CYP17A1 P05093 1/20 0.37
CYP19A1 P11511 1/20 0.37
HRH1 P35367 2/20 0.37
GRM5 P41594 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
PRMT5 O14744 1/20 0.36

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
SCHEMBL492258 0.89 TSHR (0.52) LOXL2HSD17B10ALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL27794104 0.86 TSHR (0.50) LOXL2HSD17B10ALDH1A1CYP1A2CYP3A4
SCHEMBL17132267 0.84 LOXL2 (0.46) LOXL2HSD17B10ALDH1A1CYP1A2CYP3A4
SCHEMBL444755 0.80 LOXL2 (0.42) LOXL2HSD17B10ALDH1A1CYP1A2CYP3A4
SCHEMBL9130156 0.80 LOXL2 (0.42) LOXL2HSD17B10ALDH1A1CYP1A2CYP3A4
SCHEMBL22537714 0.80 TSHR (0.71) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL13630759 0.80 LOXL2 (0.42) LOXL2HSD17B10ALDH1A1CYP1A2CYP3A4
SCHEMBL14101264 0.80 LOXL2 (0.42) LOXL2HSD17B10ALDH1A1CYP1A2CYP3A4
SCHEMBL28213586 0.78 LOXL2 (0.41) LOXL2HSD17B10ALDH1A1CYP1A2CYP3A4
SCHEMBL10264180 0.77 CYP3A4 (0.41) LOXL2HSD17B10ALDH1A1CYP1A2CYP3A4

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-7612097-B2 Method for producing bactericidal pyridine compound and bactericidal pyridine compound TAMA KAGAKU KOGYO CO., LTD. (JP) 2009-11-03 US disclosed
US-20070099961-A1 Method for producing bactericidal pyridine compound and bactericidal pyridine compound Kourai, Hiroki (JP) 2007-05-03 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-20070099961-A1 Method for producing bactericidal pyridine compound and bactericidal pyridine compound BLVRB, CBR3, TLR7 LOXL2 2059/4885HSD17B10 2200/4885ALDH1A1 3198/4885

“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.