SCHEMBL16832373

SCHEMBL16832373

Cc1cccc(Cn2nc(C)c([N+](=O)[O-])c2C)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
CYP2C9 P11712 2/20 0.58
CYP2C19 P33261 2/20 0.58
SMN1; SMN2 Q16637 4/20 0.55
GAA P10253 3/20 0.55
LMNA P02545 3/20 0.55
HPGD P15428 2/20 0.55
NPSR1 Q6W5P4 1/20 0.54
HTT P42858 2/20 0.53
POLB P06746 1/20 0.53
CYP3A4 P08684 2/20 0.52
KMT2A Q03164 2/20 0.51
GFER P55789 2/20 0.51
CYP1A2 P05177 1/20 0.51
MAPT P10636 1/20 0.50

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
SCHEMBL18484093 0.89 ALDH1A1 (0.47) ALDH1A1CYP2C9CYP2C19SMN1; SMN2GAA
SCHEMBL16832686 0.87 LMNA (0.63) ALDH1A1CYP2C9CYP2C19SMN1; SMN2GAA
SCHEMBL18484094 0.86 ALDH1A1 (0.45) ALDH1A1CYP2C9CYP2C19SMN1; SMN2GAA
SCHEMBL16832720 0.86 ALDH1A1 (0.66) ALDH1A1CYP2C9CYP2C19SMN1; SMN2GAA
SCHEMBL16832460 0.85 GFER (0.63) ALDH1A1CYP2C9CYP2C19SMN1; SMN2GAA
SCHEMBL16833671 0.84 MAPT (0.55) ALDH1A1CYP2C9CYP2C19SMN1; SMN2GAA
SCHEMBL16832611 0.83 LMNA (0.57) ALDH1A1SMN1; SMN2GAALMNAPOLB
SCHEMBL16832322 0.81 ALDH1A1 (0.50) ALDH1A1CYP2C9CYP2C19SMN1; SMN2GAA
SCHEMBL19951292 0.81 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2GAALMNAHPGD
SCHEMBL16832567 0.80 MAPT (0.67) ALDH1A1SMN1; SMN2GAALMNAHPGD

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
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

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 ALDH1A1 432/4885CYP2C9 944/4885CYP2C19 714/4885

“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.