SCHEMBL13345451

SCHEMBL13345451

C=CCOc1ccncc1N

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.41
AOC1 P19801 2/20 0.40
AOC3 Q16853 2/20 0.40
POLB P06746 1/20 0.38
TSHR P16473 2/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPT P10636 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
TGFBR1 P36897 1/20 0.34
TGFBR2 P37173 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL28229161 0.86 IMPDH2 (0.41) IMPDH2AOC1AOC3POLBTSHR
SCHEMBL3823546 0.83 POLB (0.43) POLBTSHRHPGDMAPK1HSD17B10
SCHEMBL20189707 0.83 KDM4E (0.42) IMPDH2AOC1AOC3MAPTCA12
SCHEMBL3588383 0.81 IMPDH2 (0.38) IMPDH2AOC1AOC3MAPTCA12
SCHEMBL8811300 0.79 POLB (0.38) POLBTSHRHPGDMAPK1HSD17B10
SCHEMBL4160377 0.76 CA12 (0.57) AOC1AOC3POLBHPGDMAPK1
SCHEMBL4956799 0.75 ADRA2A (0.40) POLBTSHRHPGDMAPK1HSD17B10
SCHEMBL4958013 0.73 POLB (0.40) POLBHPGDHSD17B10MAPTTGFBR1
SCHEMBL4608367 0.73 ALDH1A1 (0.55) TSHRHPGDMAPK1HSD17B10CA12
SCHEMBL15778646 0.73 AOC3 (0.46) AOC1AOC3MAPTCA12CA1

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-20100113504-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-05-06 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-20100113504-A1 AMIDE COMPOUNDS AND THEIR USE AS ANTITUMOR AGENTS HDAC3, HCCS, CCNH IMPDH2 1439/4885AOC1 1042/4885AOC3 199/4885

“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.