SCHEMBL19989040

SCHEMBL19989040

COC(=O)c1cc(N2CCOCC2)cc(Nc2cc(-c3ccccc3)nc3ccccc23)c1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.47
MAPT P10636 6/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MOK Q9UQ07 2/20 0.46
ALDH1A1 P00352 7/20 0.46
HPGD P15428 2/20 0.46
AHR P35869 1/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 5/20 0.45
HTT P42858 2/20 0.45
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GPR55 Q9Y2T6 2/20 0.45
TSHR P16473 1/20 0.45
NPC1 O15118 1/20 0.45
HCRTR1 O43613 1/20 0.45
RAB9A P51151 1/20 0.45
HDAC1 Q13547 1/20 0.44

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
SCHEMBL19989092 0.90 MAPT (0.52) KDM4EMAPTALDH1A1MAPK1LMNA
SCHEMBL19989041 0.89 PIK3R2 (0.43) KDM4EMAPTNPSR1MOKALDH1A1
SCHEMBL19989248 0.88 MAPT (0.41) KDM4EMAPTNPSR1MOKALDH1A1
SCHEMBL19988919 0.87 MAPT (0.42) KDM4EMAPTNPSR1ALDH1A1L3MBTL1
SCHEMBL19989124 0.87 MAPT (0.39) KDM4EMAPTNPSR1MOKALDH1A1
SCHEMBL19989437 0.86 MAPT (0.43) KDM4EMAPTALDH1A1LMNAGAA
SCHEMBL19991577 0.84 SIRT6 (0.47) KDM4EMAPTALDH1A1HPGDMAPK1
SCHEMBL19989226 0.83 ALDH1A1 (0.43) KDM4EMAPTALDH1A1LMNANPC1
SCHEMBL19991607 0.81 MAPT (0.42) KDM4EMAPTNPSR1ALDH1A1MAPK1
SCHEMBL19988946 0.81 ADRA2A (0.47) KDM4EMAPTALDH1A1MAPK1LMNA

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 KDM4E 3192/4885MAPT 146/4885NPSR1 2243/4885

“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.