SCHEMBL4836868

SCHEMBL4836868

Cn1ncc(C=O)c1C1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CSNK2B P67870 1/20 0.35
PIM1 P11309 1/20 0.34
CREBBP Q92793 2/20 0.34
HSD11B1 P28845 1/20 0.33
PLK1 P53350 1/20 0.33
CSNK2A1 P68400 1/20 0.33
PLK3 Q9H4B4 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
PIM2 Q9P1W9 1/20 0.32
MGLL Q99685 2/20 0.32
GRM5 P41594 1/20 0.32
KAT2B Q92831 1/20 0.32

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
SCHEMBL25528083 0.97 ALDH1A1 (0.37) ALDH1A1POLBSMN1; SMN2CSNK2BPIM1
SCHEMBL28920931 0.91 ALDH1A1 (0.35) ALDH1A1POLBSMN1; SMN2CSNK2BDRD2
SCHEMBL4836279 0.79 CCNC (0.40) ALDH1A1SMN1; SMN2PIM1HSD11B1MGLL
SCHEMBL25528080 0.75 ALDH1A1 (0.33) ALDH1A1POLBSMN1; SMN2DRD2DRD4
SCHEMBL28623697 0.75 ALDH1A1 (0.33) ALDH1A1POLBSMN1; SMN2DRD2DRD4
SCHEMBL3685143 0.74 KAT2B (0.34) POLBPIM1CREBBPHSD11B1PLK1
SCHEMBL28610902 0.73 ALDH1A1 (0.36) ALDH1A1POLBSMN1; SMN2DRD2DRD4
SCHEMBL28619049 0.73 ALDH1A1 (0.36) ALDH1A1POLBSMN1; SMN2DRD2DRD4
SCHEMBL25528081 0.73 ALDH1A1 (0.36) ALDH1A1POLBSMN1; SMN2DRD2DRD4
SCHEMBL16100312 0.73 PRMT1 (0.37)

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 ALDH1A1 2652/4885POLB 3700/4885SMN1; SMN2 75/4885
US-20080287438-A1 Agent for preventing or treating neuropathy NR2C2, NR0B2, NR2E1 ALDH1A1 2652/4885POLB 3700/4885SMN1; SMN2 75/4885

“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.