SCHEMBL4825652

SCHEMBL4825652

Cn1ncc(C=O)c1-c1cccc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.46
ERN1 O75460 5/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 3/20 0.37
IMPDH2 P12268 1/20 0.37
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HTR2C P28335 3/20 0.36
CYP11B2 P19099 1/20 0.35
HTR2A P28223 1/20 0.35
BACE1 P56817 1/20 0.35

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
SCHEMBL4836372 0.82 KDM4E (0.46) HIF1AKDM4EMEN1KMT2AALDH1A1
SCHEMBL4836380 0.82 KDM4E (0.46) HIF1AKDM4EMEN1KMT2AALDH1A1
SCHEMBL4825676 0.79 HIF1A (0.49) HIF1AERN1KDM4EALDH1A1NPC1
SCHEMBL963049 0.75 ERN1 (0.42) ERN1KDM4EMEN1KMT2AALDH1A1
SCHEMBL4836837 0.74 LMNA (0.46) HIF1AKDM4EMEN1KMT2AALDH1A1
SCHEMBL548462 0.70 MEN1 (0.48) ERN1KDM4EMEN1KMT2AALDH1A1
SCHEMBL31177892 0.70 MEN1 (0.48) ERN1KDM4EMEN1KMT2AALDH1A1
SCHEMBL29569282 0.68 CYP2A6 (0.37) HIF1AERN1KDM4EMEN1KMT2A
SCHEMBL19584788 0.68 CYP2A6 (0.37) HIF1AERN1KDM4EMEN1KMT2A
SCHEMBL4833849 0.68 PRMT5 (0.44) HIF1AERN1KDM4EALDH1A1HTR2C

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-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
CN-1731994-A Prophylactic and therapeutic agent for neuropathy TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2006-02-08 CN 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 HIF1A 1521/4885ERN1 2317/4885KDM4E 4406/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 HIF1A 1521/4885ERN1 2317/4885KDM4E 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.