SCHEMBL19988930

SCHEMBL19988930

CCc1nc2ccccc2c(Nc2cc(N3CCOCC3)cc(C(=O)OC)c2[N+](=O)[O-])c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.44
GAA P10253 4/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
HPGD P15428 1/20 0.41
NTSR1 P30989 1/20 0.41
NOD2 Q9HC29 1/20 0.41
USP2 O75604 2/20 0.41
ALDH1A1 P00352 3/20 0.41
PIK3R2 O00459 3/20 0.41
KDM4E B2RXH2 3/20 0.39

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
SCHEMBL19988946 0.89 ADRA2A (0.47) MAPTGAAMEN1KMT2ASMN1; SMN2
SCHEMBL19988860 0.88 PIK3R2 (0.44) MAPTGAAMEN1KMT2ASMN1; SMN2
SCHEMBL19989006 0.87 MAPT (0.42) MAPTGAAMEN1KMT2ASMN1; SMN2
SCHEMBL19989217 0.84 MAPT (0.51) MAPTGAAMEN1KMT2ASMN1; SMN2
SCHEMBL19989092 0.84 MAPT (0.52) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL19989021 0.83 MAPT (0.49) MAPTGAAMEN1KMT2ASMN1; SMN2
SCHEMBL19989175 0.82 MAPT (0.48) MAPTGAAMEN1KMT2ASMN1; SMN2
SCHEMBL19989040 0.81 KDM4E (0.47) MAPTGAASMN1; SMN2NPC1RAB9A
SCHEMBL19989256 0.80 PIK3CA (0.41) MAPTGAAMEN1KMT2ASMN1; SMN2
SCHEMBL19989328 0.80 GAA (0.46) MAPTGAAMEN1KMT2ASMN1; SMN2

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 MAPT 146/4885GAA 2943/4885MEN1 852/4885

“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.