SCHEMBL19989068

SCHEMBL19989068

COC(=O)c1cc(N2CCOCC2)cc(Nc2ccnc3cccc(Cl)c23)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHB4 P54760 1/20 0.39
MAPT P10636 5/20 0.39
PIK3R2 O00459 1/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SIRT6 Q8N6T7 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MRGPRX4 Q96LA9 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
SCHEMBL19988844 0.92 PIK3R2 (0.40) EPHB4MAPTPIK3R2ALDH1A1LMNA
SCHEMBL19989136 0.91 MAPT (0.38) MAPTPIK3R2ALDH1A1LMNAPKM
SCHEMBL19988917 0.90 PIK3R2 (0.39) EPHB4MAPTPIK3R2ALDH1A1LMNA
SCHEMBL19988861 0.89 MAPT (0.40) MAPTPIK3R2ALDH1A1TDP1GAA
SCHEMBL19988989 0.88 PIK3R2 (0.41) MAPTPIK3R2
SCHEMBL19989437 0.87 MAPT (0.43) MAPTALDH1A1LMNAGAACYP3A4
SCHEMBL19989039 0.86 PIK3R2 (0.39) MAPTPIK3R2ALDH1A1GAAALOX15
SCHEMBL19989047 0.85 PIK3R2 (0.41) MAPTPIK3R2
SCHEMBL19988960 0.85 MAPT (0.38) MAPTPIK3R2ALDH1A1TDP1MAPK9
SCHEMBL19991580 0.84 MAPT (0.43) MAPTALDH1A1LMNAMAPK1TDP1

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-20180086747-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. 2018-03-29 US disclosed
WO-2018057808-A1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2018-03-29 WO 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-20180086747-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS PIK3CA, AKT3, TNNI3K EPHB4 3111/4885MAPT 146/4885PIK3R2 18/4885

“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.