SCHEMBL18482877

SCHEMBL18482877

COc1ccc(CCCn2nc(C)c([N+](=O)O)c2C)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.67
▸ NPC1 O15118 2/20 0.67
▸ ALDH1A1 P00352 4/20 0.57
▸ TDP1 Q9NUW8 2/20 0.46
▸ HTT P42858 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ PKM P14618 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ CALM1 P0DP23 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL16833111 0.88 RAB9A (0.86) RAB9ANPC1ALDH1A1TDP1HTT
SCHEMBL16855655 0.85 RAB9A (0.58) RAB9ANPC1ALDH1A1TDP1HTT
SCHEMBL16832464 0.78 NPC1 (0.53) RAB9ANPC1ALDH1A1KDM4EPKM
SCHEMBL18483483 0.74 RAB9A (0.61) RAB9ANPC1ALDH1A1TDP1HTT
SCHEMBL16832564 0.72 RAB9A (0.77) RAB9ANPC1ALDH1A1TDP1HTT
SCHEMBL16855412 0.71 NPC1 (0.48) RAB9ANPC1ALDH1A1HTTLMNA
SCHEMBL16855409 0.71 ALDH1A1 (0.44) RAB9ANPC1ALDH1A1TDP1HTT
SCHEMBL16855481 0.70 GAA (0.57) ALDH1A1HTTLMNAPOLBSMN1; SMN2
SCHEMBL16855660 0.69 GAA (0.56) RAB9AALDH1A1HTTLMNAL3MBTL1
SCHEMBL16855410 0.69 ALDH1A1 (0.50) RAB9ANPC1ALDH1A1TDP1HTT

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 1 patent. 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

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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