SCHEMBL2968358

SCHEMBL2968358

CCCc1ccc(-c2nnc(CCCC[O])o2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
SPHK1 Q9NYA1 3/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
NR1H4 Q96RI1 1/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALOX12 P18054 1/20 0.42
SPHK2 Q9NRA0 2/20 0.41
DDX3X O00571 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40

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
SCHEMBL2968360 0.86 MAPT (0.54) MAPTSPHK1CA1CA2NR1H4
SCHEMBL95171 0.85 MAPT (0.55) MAPTCA1CA2NR1H4ALDH1A1
SCHEMBL13340753 0.79 MAPT (0.53) MAPTSPHK1ALDH1A1KDM4EKMT2A
SCHEMBL95172 0.79 NOTUM (0.60) MAPTSPHK1CA1CA2NR1H4
SCHEMBL1313385 0.77 SPHK1 (0.50) MAPTSPHK1CA1CA2ALDH1A1
SCHEMBL1313658 0.77 SPHK1 (0.53) MAPTSPHK1NR1H4ALDH1A1KDM4E
SCHEMBL96693 0.77 SPHK2 (0.53) MAPTSPHK1SMN1; SMN2SPHK2NPC1
SCHEMBL18378057 0.74 ALDH1A1 (0.48) CA2ALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL7524142 0.74 MAPT (0.52) MAPTSPHK1NR1H4ALDH1A1KDM4E
SCHEMBL7520338 0.74 MAPT (0.52) MAPTSPHK1NR1H4ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 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 (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-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 MAPT 4773/4885SPHK1 531/4885CA1 2592/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 MAPT 4773/4885SPHK1 531/4885CA1 2592/4885

“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.