SCHEMBL19989495

SCHEMBL19989495

COC(=O)c1cc(N2CCOCC2)cc(Nc2c(Cl)cnc3c(Cl)cccc23)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 7/20 0.43
GAA P10253 4/20 0.43
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PIK3R2 O00459 3/20 0.40
PKM P14618 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.38
ULK1 O75385 1/20 0.38
SIRT6 Q8N6T7 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 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
SCHEMBL19988976 0.94 MAPT (0.45) SMN1; SMN2MAPTGAAMAPK1TDP1
SCHEMBL19988906 0.93 PIK3R2 (0.42) SMN1; SMN2MAPTGAAMAPK1TDP1
SCHEMBL19989021 0.89 MAPT (0.49) SMN1; SMN2MAPTGAAMAPK1TDP1
SCHEMBL19988989 0.89 PIK3R2 (0.41) SMN1; SMN2MAPTPIK3R2
SCHEMBL19989256 0.88 PIK3CA (0.41) SMN1; SMN2MAPTGAAMAPK1TDP1
SCHEMBL19991582 0.86 MAPT (0.44) MAPTGAAMAPK1TDP1L3MBTL1
SCHEMBL19989026 0.85 MAPT (0.40) SMN1; SMN2MAPTMAPK1PIK3R2TP53
SCHEMBL19991580 0.83 MAPT (0.43) SMN1; SMN2MAPTGAAMAPK1TDP1
SCHEMBL19989259 0.83 MAPT (0.43) SMN1; SMN2MAPTGAAMAPK1TDP1
SCHEMBL19988941 0.83 PIK3R2 (0.40) SMN1; SMN2MAPTGAAMAPK1TDP1

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 SMN1; SMN2 1259/4885MAPT 146/4885GAA 2943/4885

“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.