SCHEMBL16832554

SCHEMBL16832554

COc1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cn1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.57
▸ NPC1 O15118 1/20 0.57
▸ ALDH1A1 P00352 3/20 0.55
▸ LMNA P02545 3/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ GFER P55789 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ GAA P10253 1/20 0.44

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
SCHEMBL16855409 0.88 ALDH1A1 (0.44) RAB9ANPC1ALDH1A1LMNAKDM4E
SCHEMBL16832375 0.85 RAB9A (0.42) RAB9ANPC1ALDH1A1LMNAKDM4E
SCHEMBL16832564 0.82 RAB9A (0.77) RAB9ANPC1ALDH1A1LMNAKDM4E
SCHEMBL18483510 0.80 CYP11B1 (0.44) LMNAKDM4EGFERGAA
SCHEMBL16832299 0.80 RAB9A (0.50) RAB9ANPC1ALDH1A1LMNAKDM4E
SCHEMBL16832611 0.79 LMNA (0.57) RAB9ANPC1ALDH1A1LMNACYP3A4
SCHEMBL16832607 0.78 GAA (0.58) KDM4ECYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16832763 0.78 LMNA (0.66) RAB9ANPC1ALDH1A1LMNAHTT
SCHEMBL16833002 0.77 LMNA (0.55) RAB9ANPC1ALDH1A1LMNACYP3A4
SCHEMBL16833066 0.77 LMNA (0.69) RAB9ANPC1ALDH1A1LMNASMN1; SMN2

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
WO-2016202898-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-22 — — WO 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 RAB9A 1843/4885NPC1 58/4885ALDH1A1 432/4885

“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.

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