SCHEMBL3033366

SCHEMBL3033366

C[C@H](Nc1ccc2ncc([N+](=O)[O-])n2n1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
HPGD P15428 1/20 0.44
PLK1 P53350 13/20 0.43
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL16468560 0.79 PLK1 (0.45) PLK1
SCHEMBL31668867 0.75 CYP1A2 (0.43) GAACYP2C9
SCHEMBL3039694 0.74 FYN (0.65)
SCHEMBL3040935 0.74 FYN (0.65)
SCHEMBL3037462 0.74 PLK1 (0.43) PLK1POLB
SCHEMBL15022761 0.73 ALDH1A1 (0.74) ALDH1A1GAAHTTHPGDCRHBP
SCHEMBL31629180 0.73 ALDH1A1 (0.74) ALDH1A1GAAHTTHPGDCRHBP
SCHEMBL2733724 0.73 ALDH1A1 (0.74) ALDH1A1GAAHTTHPGDCRHBP
SCHEMBL2792928 0.73 ALDH1A1 (0.74) ALDH1A1GAAHTTHPGDCRHBP
SCHEMBL3041409 0.73 HSD17B10 (0.46) HTTPLK1

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-20100216798-A1 FUSED HETEROCYCLES AS LCK INHIBITORS ASTELLAS PHARMA INC (JP) 2010-08-26 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-20100216798-A1 FUSED HETEROCYCLES AS LCK INHIBITORS LCK, ZAP70, FYN ALDH1A1 4048/4885GAA 3748/4885HTT 4671/4885

“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.