SCHEMBL4831166

SCHEMBL4831166

Cn1ncc(C=O)c1-c1ccco1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 4/20 0.41
▸ ALDH1A1 P00352 6/20 0.39
▸ KDM4E B2RXH2 5/20 0.39
▸ POLB P06746 3/20 0.39
▸ HPGD P15428 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ PKM P14618 2/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ CASP1 P29466 2/20 0.39
▸ PTPN7 P35236 2/20 0.39
▸ RECQL P46063 2/20 0.39
▸ BLM P54132 2/20 0.39
▸ CASP7 P55210 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ LMNA P02545 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
SCHEMBL4834567 0.81 HCAR2 (0.45) ALDH1A1KDM4EPOLBHPGDMAPT
SCHEMBL4834558 0.81 HCAR2 (0.45) ALDH1A1KDM4EPOLBHPGDMAPT
SCHEMBL11606838 0.74 ALDH1A1 (0.40) ALDH1A1KDM4EPOLBHPGDMAPT
SCHEMBL4836837 0.73 LMNA (0.46) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL4831223 0.72 ERN1 (0.42) ERN1ALDH1A1KDM4EHPGDMAPT
SCHEMBL11602553 0.72 ALDH1A1 (0.43) ALDH1A1KDM4EPOLBHPGDMAPT
SCHEMBL13019208 0.72 PTGS1 (0.43) ERN1ALDH1A1KDM4EPOLBHPGD
SCHEMBL12622949 0.69 ERN1 (0.40) ERN1ALDH1A1KDM4EPOLBHPGD
SCHEMBL4829311 0.69 RAB9A (0.43) ALDH1A1KDM4EPOLBHPGDMAPT
SCHEMBL4825676 0.69 HIF1A (0.49) ERN1ALDH1A1KDM4EHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287438-A1 Agent for preventing or treating neuropathy MOMOSE YU 2008-11-20 — — US disclosed
US-7423159-B2 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-09 — — US disclosed
US-20060004069-A1 Agent for preventing or treating neuropathy TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-05 — — US disclosed
EP-1556032-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY Takeda Pharmaceutical Company Limited (JP) 2005-07-27 — — EP disclosed
WO-2004039365-A1 AGENT FOR PREVENTING OR TREATING NEUROPATHY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-05-13 — — 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-20060004069-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 ERN1 2317/4885ALDH1A1 2652/4885KDM4E 4406/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 ERN1 2317/4885ALDH1A1 2652/4885KDM4E 4406/4885

“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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