SCHEMBL8235455

SCHEMBL8235455

O=C(NCCCCl)[C@H](O)[C@@H](O)C(=O)Nc1ccc(C2=NNCC2)cc1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.32
KDR P35968 2/20 0.31
PDE3B Q13370 1/20 0.31
NPC1 O15118 1/20 0.31
MITF O75030 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PDK1 Q15118 2/20 0.30
KIT P10721 1/20 0.30
FLT3 P36888 1/20 0.30
CIT O14578 1/20 0.30

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
SCHEMBL8245334 0.81 NISCH (0.35) ROCK1KDRPDE3BNPC1ALDH1A1
SCHEMBL8418452 0.78 ALDH1A1 (0.54) NPC1MITFALDH1A1HTTRAB9A
SCHEMBL8220090 0.76 ROCK1 (0.40) ROCK1NPC1MITFALDH1A1HTT
SCHEMBL14494246 0.74 KIF11 (0.48) ROCK1HTTSMN1; SMN2
SCHEMBL8215666 0.74 KIF11 (0.48) ROCK1HTTSMN1; SMN2
SCHEMBL8208685 0.71 SPHK1 (0.46) NPC1RAB9ASMN1; SMN2
SCHEMBL8212572 0.70 RAB9A (0.45) NPC1MITFALDH1A1HTTRAB9A
SCHEMBL8218365 0.70 RNF4 (0.57) NPC1MITFALDH1A1HTTRAB9A
SCHEMBL8216616 0.70 TSHR (0.49) NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL8208426 0.70 SPHK1 (0.51) NPC1ALDH1A1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007064732-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS AND MICROBIAL DISEASES SCHERING CORPORATION (US) 2007-06-07 WO disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 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-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF ROCK1 3702/4885KDR 2627/4885PDE3B 1151/4885

“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.