SCHEMBL16832297

SCHEMBL16832297

Cc1nn(CCOc2ccccc2)c(C)c1N

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.56
▸ NPC1 O15118 7/20 0.50
▸ RAB9A P51151 7/20 0.50
▸ GAA P10253 5/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ CYP2C19 P33261 1/20 0.45
▸ MITF O75030 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ SLC2A1 P11166 1/20 0.43

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
SCHEMBL16855412 0.76 NPC1 (0.48) NPC1RAB9AGAAMEN1KMT2A
SCHEMBL16832401 0.76 SMN1; SMN2 (0.58) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL17137836 0.72 CYP1A2 (0.46) NPC1RAB9AGAAMEN1KMT2A
SCHEMBL16612682 0.71 HCRTR2 (0.46) KDM4EGAAMEN1KMT2ASMN1; SMN2
SCHEMBL18154870 0.70 GAA (0.44) KDM4EGAAMEN1KMT2ASMN1; SMN2
SCHEMBL19002769 0.70 NPC1 (0.57) NPC1RAB9AGAAMEN1KMT2A
SCHEMBL11611124 0.70 NPC1 (0.47) KDM4ENPC1RAB9AGAAMEN1
SCHEMBL22607353 0.68 NPC1 (0.44) NPC1RAB9ASMN1; SMN2PKMLMNA
SCHEMBL16832680 0.68 KDM4E (0.62) KDM4EGAAMEN1KMT2ASMN1; SMN2
SCHEMBL12479057 0.68 GAA (0.56) KDM4EGAAMEN1KMT2ASMN1; 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 7 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
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 KDM4E 3458/4885NPC1 58/4885RAB9A 1843/4885

“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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