SCHEMBL8212684

SCHEMBL8212684

O=C(Nc1ccc(-c2cc[nH]n2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.38
ALDH1A1 P00352 4/20 0.35
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MOK Q9UQ07 1/20 0.35
FLT3 P36888 1/20 0.35
SMN1; SMN2 Q16637 5/20 0.34
RAB9A P51151 7/20 0.34
NPC1 O15118 6/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL8218265 0.81 ROCK1 (0.43) ROCK1ALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL8212418 0.79 TAAR1 (0.49) ALDH1A1MAPTNPSR1SMN1; SMN2NPC1
SCHEMBL8212408 0.77 ROCK1 (0.40) ROCK1ALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL8215633 0.76 KIF11 (0.50) MAPTKMT2AMEN1
SCHEMBL16356393 0.75 ROCK1 (0.40) ROCK1SMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL14494432 0.74 MAPT (0.41) ALDH1A1MAPTNPSR1SMN1; SMN2RAB9A
SCHEMBL8243200 0.74 MAPT (0.41) ALDH1A1MAPTNPSR1SMN1; SMN2RAB9A
SCHEMBL8220090 0.74 ROCK1 (0.40) ROCK1ALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL8208836 0.73 MEN1 (0.52) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL8212593 0.71 SMN1; SMN2 (0.47) ALDH1A1MAPTNPSR1SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-7553864-B2 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION (US) 2009-06-30 US disclosed
US-7553864-B2 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION (US) 2009-06-30 US disclosed
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 US disclosed
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 US disclosed
WO-2007064749-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS AND MICROBIAL DISEASES SCHERING CORPORATION (US) 2007-06-07 WO disclosed
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-06-07 US disclosed
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-06-07 US disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 US 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 (3 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-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, ADAMTS1, ADAM33 ROCK1 3406/4885ALDH1A1 1502/4885MAPT 739/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF ROCK1 3702/4885ALDH1A1 1369/4885MAPT 874/4885
US-20070129378-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, PCSK9, ALPI ROCK1 3037/4885ALDH1A1 1607/4885MAPT 804/4885

“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.