SCHEMBL16832906

SCHEMBL16832906

Cc1nn(Cc2ccc(C#N)cc2)c(C(C)C)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
DCTPP1 Q9H773 1/20 0.46
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 4/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP19A1 P11511 2/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KCNJ1 P48048 1/20 0.38
KCNH2 Q12809 1/20 0.38
GAA P10253 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
SCHEMBL16832771 0.85 MAPT (0.63) MAPTDCTPP1NPC1RAB9AALDH1A1
SCHEMBL16833028 0.84 DCTPP1 (0.41) MAPTDCTPP1
SCHEMBL16832683 0.82 MAPT (0.51) MAPTDCTPP1NPC1RAB9AALDH1A1
SCHEMBL16832392 0.81 MAPT (0.50) MAPTDCTPP1ALDH1A1LMNASMN1; SMN2
SCHEMBL18482888 0.81 CYP11B1 (0.43) ALDH1A1CYP19A1CYP11B1CYP11B2GAA
SCHEMBL16832435 0.80 MAPT (0.49) MAPTDCTPP1NPC1RAB9AALDH1A1
SCHEMBL16832841 0.79 GAA (0.47) MAPTALDH1A1CYP19A1CYP11B1CYP11B2
SCHEMBL17458953 0.77 CYP19A1 (0.40) MAPTDCTPP1ALDH1A1LMNACYP19A1
SCHEMBL16832584 0.75 DCTPP1 (0.41) MAPTDCTPP1SMN1; SMN2CYP19A1CYP11B2
SCHEMBL16832653 0.75 MAPT (0.48) MAPTDCTPP1NPC1RAB9AALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170037028-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-02-09 US disclosed
US-20170037028-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-02-09 US disclosed
EP-3083598-A1 GLUCOSE TRANSPORT INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2016-10-26 EP disclosed
CN-106029647-A Glucose transport inhibitors 拜耳制药股份公司 2016-10-12 CN disclosed
WO-2015091428-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 WO disclosed
WO-2015091428-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 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-20170037028-A1 GLUCOSE TRANSPORT INHIBITORS SLC2A1, SLC2A2, SLC2A4 MAPT 526/4885DCTPP1 806/4885NPC1 58/4885

“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.