SCHEMBL20061133

SCHEMBL20061133

COc1cc2c(cc1[N+](=O)[O-])CCC(N1CCOCC1)C2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
KMT2A Q03164 6/20 0.43
MAPT P10636 5/20 0.40
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 4/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPK1 P28482 1/20 0.40
SIRT6 Q8N6T7 1/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RAB9A P51151 1/20 0.38
S1PR1 P21453 1/20 0.38

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
SCHEMBL2060771 0.94 HTT (0.46) HTTKMT2AMAPTALDH1A1MEN1
SCHEMBL2062514 0.89 HTT (0.42) HTTKMT2AMAPTALDH1A1MEN1
SCHEMBL2062311 0.88 HTT (0.41) HTTKMT2AMAPTALDH1A1MEN1
SCHEMBL20061156 0.80 MAPT (0.39) HTTKMT2AMAPTALDH1A1MEN1
SCHEMBL20061154 0.80 RAD52 (0.39)
SCHEMBL24179071 0.76 MAPT (0.47) HTTKMT2AMAPTALDH1A1MEN1
SCHEMBL30039057 0.76 MAPT (0.47) HTTKMT2AMAPTALDH1A1MEN1
SCHEMBL23421504 0.76 MAPT (0.46) HTTKMT2AMAPTALDH1A1MEN1
SCHEMBL2062474 0.76 SIGMAR1 (0.42) HTTKMT2AMAPTALDH1A1MEN1
SCHEMBL2061689 0.76 SIGMAR1 (0.42) HTTKMT2AMAPTALDH1A1MEN1

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-20180104242-A1 4-(2-AMINO-TETRAHYDRONAPHTHALENYL)PYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER, CONTAINING SAME AS ACTIVE INGREDIENT KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2018-04-19 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-20180104242-A1 4-(2-AMINO-TETRAHYDRONAPHTHALENYL)PYRIMIDINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER, CONTAINING SAME AS ACTIVE INGREDIENT ALK, NPM1, EML4 HTT 2654/4885KMT2A 1176/4885MAPT 2210/4885

“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.