SCHEMBL17458969

SCHEMBL17458969

Cc1c([N+](=O)[O-])cnn1Cc1ccc(C#N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 1/20 0.44
CYP11B2 P19099 5/20 0.44
CYP19A1 P11511 4/20 0.44
CYP11B1 P15538 4/20 0.44
MAPT P10636 2/20 0.41
VCAM1 P19320 2/20 0.41
KCNJ1 P48048 1/20 0.40
KCNH2 Q12809 1/20 0.40
SLC2A1 P11166 1/20 0.39
SLC2A3 P11169 1/20 0.39
SLC2A4 P14672 1/20 0.39
AR P10275 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 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
SCHEMBL19170438 0.89 CYP11B2 (0.46) DCTPP1CYP11B2CYP19A1CYP11B1SLC2A1
SCHEMBL17472244 0.87 CYP11B2 (0.44) CYP11B2CYP19A1CYP11B1SLC2A1SLC2A3
SCHEMBL17458875 0.85 ALDH1A1 (0.49) MAPTALDH1A1LMNAPKMHTT
SCHEMBL17458884 0.85 CYP19A1 (0.41) DCTPP1CYP11B2CYP19A1CYP11B1MAPT
SCHEMBL28842825 0.84 CYP19A1 (0.43) DCTPP1CYP11B2CYP19A1CYP11B1VCAM1
SCHEMBL17458953 0.84 CYP19A1 (0.40) DCTPP1CYP11B2CYP19A1CYP11B1MAPT
SCHEMBL17458926 0.82 SOS1 (0.49) SLC2A1PTGDR2KDM4EALDH1A1LMNA
SCHEMBL28842491 0.81 SMN1; SMN2 (0.41) DCTPP1CYP11B2CYP19A1CYP11B1MAPT
SCHEMBL17459012 0.81 CYP11B1 (0.51) CYP11B2CYP19A1CYP11B1MAPTAR
SCHEMBL17470460 0.81 POLB (0.41) MAPTKDM4EALDH1A1LMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107074814-A Glucose transport inhibitor 拜耳制药股份公司 2017-08-18 CN disclosed
US-20170226081-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-10 US disclosed
US-20170226081-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-08-10 US disclosed
US-20170210738-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-07-27 US disclosed
US-20170210738-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-07-27 US disclosed
US-20170210738-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-07-27 US disclosed
EP-3172192-A1 GLUCOSE TRANSPORT INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2017-05-31 EP disclosed
EP-3172194-A1 GLUCOSE TRANSPORT INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2017-05-31 EP disclosed
WO-2016202898-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-22 WO disclosed
WO-2016012481-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-01-28 WO disclosed
WO-2016012481-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-01-28 WO disclosed
WO-2016012474-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-01-28 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 (2 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-20170226081-A1 GLUCOSE TRANSPORT INHIBITORS SLC2A1, SLC2A2, SLC2A4 DCTPP1 806/4885CYP11B2 512/4885CYP19A1 1271/4885
US-20170210738-A1 GLUCOSE TRANSPORT INHIBITORS SLC2A1, SLC2A2, SLC2A4 DCTPP1 747/4885CYP11B2 356/4885CYP19A1 658/4885

“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.