SCHEMBL13907293

SCHEMBL13907293

C(#CCc1ccncc1)Cc1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.50
CYP3A4 P08684 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP2D6 P10635 2/20 0.48
HSD17B10 Q99714 1/20 0.48
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
HRH1 P35367 2/20 0.39
CYP11B1 P15538 2/20 0.38
CYP17A1 P05093 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B2 P19099 1/20 0.38
HDAC8 Q9BY41 2/20 0.38
HRH3 Q9Y5N1 2/20 0.37
HRH4 Q9H3N8 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL17039127 0.88 LOXL2 (0.41) LOXL2CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL17039199 0.85 LOXL2 (0.42) LOXL2CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL3179207 0.85 LOXL2 (0.42) LOXL2CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL17036536 0.82 LOXL2 (0.37) LOXL2CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL17036503 0.79 LOXL2 (0.38) LOXL2CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL123259 0.78
SCHEMBL5566555 0.78
SCHEMBL2574518 0.78
SCHEMBL254403 0.78
Hydrochloric Acid SCHEMBL19220 0.76 TNF (0.46) LOXL2CYP3A4CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082574-A1 Metallacycles and methods of making the same ACADEMIA SINICA (TW) 2009-03-26 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-20090082574-A1 Metallacycles and methods of making the same SOD1, PMS2, MEN1 LOXL2 2946/4885CYP3A4 256/4885CYP1A2 266/4885

“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.