SCHEMBL16833409

SCHEMBL16833409

Cc1nn(C(C)c2ccc(C#N)cc2)c(C)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
RECQL P46063 1/20 0.45
POLB P06746 3/20 0.43
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
CYP3A4 P08684 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
CYP1A2 P05177 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 3/20 0.40
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 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
SCHEMBL16832493 0.84 MAPT (0.39) MAPTRECQLPOLBGLAHPGD
SCHEMBL16832590 0.77 CYP19A1 (0.37) MAPTCYP3A4CYP2C19L3MBTL1ALDH1A1
SCHEMBL20037006 0.76 ALDH1A1 (0.55) MAPTRECQLL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL16832771 0.73 MAPT (0.63) MAPTPOLBCYP3A4MEN1KMT2A
SCHEMBL28322110 0.70 POLB (0.47) MAPTRECQLPOLBGLAHPGD
SCHEMBL16832906 0.69 MAPT (0.50) MAPTMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL16832137 0.69 NPC1 (0.59) MAPTPOLBHTTALDH1A1LMNA
SCHEMBL19951291 0.69 POLB (0.55) MAPTRECQLPOLBGLAHPGD
SCHEMBL19951214 0.68 CYP3A4 (0.45) MAPTRECQLPOLBGLAHPGD
SCHEMBL16832392 0.67 MAPT (0.50) MAPTPOLBMEN1KMT2AL3MBTL1

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 526/4885RECQL 1936/4885POLB 3189/4885

“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.