SCHEMBL17458974

SCHEMBL17458974

Cc1c([N+](=O)[O-])cnn1CC1CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
PRKCQ Q04759 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MERTK Q12866 3/20 0.34
EED O75530 1/20 0.34
RBBP4 Q09028 1/20 0.34
SUZ12 Q15022 1/20 0.34
EZH2 Q15910 1/20 0.34
AEBP2 Q6ZN18 1/20 0.34
BRD4 O60885 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NR3C1 P04150 1/20 0.33
HTR6 P50406 1/20 0.33
NMT1 P30419 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL19170395 0.89 LMNA (0.36) LMNAMERTKEEDRBBP4SUZ12
SCHEMBL6155541 0.87 LMNA (0.40) LMNASMN1; SMN2POLBL3MBTL1ALDH1A1
SCHEMBL19170670 0.86 LMNA (0.38) LMNAMERTKEEDRBBP4SUZ12
SCHEMBL17458967 0.86 LMNA (0.44) LMNASMN1; SMN2MEN1KMT2A
SCHEMBL16985416 0.81 SMN1; SMN2 (0.38) CYP3A4CYP2C9SMN1; SMN2EEDRBBP4
SCHEMBL17458949 0.81 PKM (0.45) LMNACYP2C9SMN1; SMN2POLBL3MBTL1
SCHEMBL21961414 0.79 MERTK (0.35) LMNACYP3A4CYP2C9PRKCQMERTK
SCHEMBL19222864 0.78 CRHR1 (0.40) LMNAMERTKEEDRBBP4SUZ12
SCHEMBL19163453 0.78 MCOLN3 (0.40) LMNASMN1; SMN2L3MBTL1ALDH1A1MEN1
SCHEMBL17610427 0.76 CHRNB2 (0.41) CYP2C9SMN1; SMN2POLBL3MBTL1ALDH1A1

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 11 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-3172194-A1 GLUCOSE TRANSPORT INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2017-05-31 EP disclosed
EP-3172192-A1 GLUCOSE TRANSPORT INHIBITORS Bayer Pharma Aktiengesellschaft (DE) 2017-05-31 EP disclosed
CN-106687455-A Glucose transport inhibitors 拜耳制药股份公司 2017-05-17 CN 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 LMNA 2540/4885CYP3A4 940/4885CYP2C9 944/4885
US-20170210738-A1 GLUCOSE TRANSPORT INHIBITORS SLC2A1, SLC2A2, SLC2A4 LMNA 2878/4885CYP3A4 689/4885CYP2C9 504/4885

“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.