SCHEMBL4831223

SCHEMBL4831223

Cn1ncc(C=O)c1-c1ccoc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 6/20 0.42
▸ TGFBR1 P36897 1/20 0.36
▸ HIF1A Q16665 1/20 0.35
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ ALOX15 P16050 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ IMPDH2 P12268 1/20 0.32
▸ PYGM P11217 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.31

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
SCHEMBL4834262 0.81 HCAR2 (0.45) MEN1KMT2AKDM4ENPC1ALDH1A1
SCHEMBL4834248 0.81 HCAR2 (0.45) MEN1KMT2AKDM4ENPC1ALDH1A1
SCHEMBL4836837 0.77 LMNA (0.46) HIF1AMEN1KMT2AKDM4ENPC1
SCHEMBL4829311 0.76 RAB9A (0.43) HIF1AMEN1KMT2AKDM4ENPC1
SCHEMBL30422814 0.76 CYP1A2 (0.35) TGFBR1CYP1A2CYP2D6ALOX15MEN1
SCHEMBL4829107 0.74 PRMT5 (0.40) ERN1HIF1AMEN1KMT2AKDM4E
SCHEMBL4836369 0.74 PTGS2 (0.42) ERN1HIF1AMEN1KMT2AKDM4E
SCHEMBL3630473 0.74 NR3C2 (0.41) ERN1HIF1AKMT2AKDM4EALDH1A1
SCHEMBL4831166 0.72 ERN1 (0.41) ERN1TGFBR1HIF1AALOX15MEN1
SCHEMBL4833921 0.72 ERN1 (0.47) ERN1HIF1ACYP1A2CYP2D6CYP3A4

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 2317/4885TGFBR1 1897/4885HIF1A 1521/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 ERN1 2317/4885TGFBR1 1897/4885HIF1A 1521/4885

“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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