SCHEMBL19989041

SCHEMBL19989041

COC(=O)c1cc(N2CCOCC2)cc(Nc2cc(-c3cscn3)nc3ccccc23)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3R2 O00459 3/20 0.43
MAPT P10636 8/20 0.40
KDM4E B2RXH2 4/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
GAA P10253 2/20 0.39
GPR55 Q9Y2T6 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HDAC1 Q13547 1/20 0.38
MOK Q9UQ07 1/20 0.37

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
SCHEMBL19989040 0.89 KDM4E (0.47) MAPTKDM4ENPSR1ALDH1A1SMN1; SMN2
SCHEMBL19989092 0.85 MAPT (0.52) MAPTKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL19989124 0.83 MAPT (0.39) MAPTKDM4ENPSR1CYP1A2CYP3A4
SCHEMBL19989437 0.83 MAPT (0.43) MAPTKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL19988919 0.82 MAPT (0.42) PIK3R2MAPTKDM4ENPSR1CYP1A2
SCHEMBL19989248 0.81 MAPT (0.41) MAPTKDM4ENPSR1CYP1A2CYP3A4
SCHEMBL19991577 0.79 SIRT6 (0.47) MAPTKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL19989226 0.78 ALDH1A1 (0.43) MAPTKDM4ECYP1A2CYP3A4CYP2D6
SCHEMBL19989217 0.78 MAPT (0.51) MAPTNPSR1CYP1A2CYP3A4CYP2D6
SCHEMBL19989021 0.78 MAPT (0.49) MAPTNPSR1CYP1A2CYP3A4CYP2D6

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 PIK3R2 18/4885MAPT 146/4885KDM4E 3192/4885

“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.