SCHEMBL10007553

SCHEMBL10007553

COc1cccc(-c2cnc(NC(=O)CCc3ccc(C)o3)nc2)c1OC

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.51
▸ GLA P06280 1/20 0.51
▸ ALDH1A1 P00352 7/20 0.50
▸ PKM P14618 6/20 0.50
▸ TSHR P16473 5/20 0.50
▸ KDM4E B2RXH2 4/20 0.50
▸ POLB P06746 3/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ MAPT P10636 2/20 0.47
▸ HPGD P15428 3/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42

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
SCHEMBL10299115 0.91 USP2 (0.52) USP2GLAALDH1A1PKMTSHR
SCHEMBL10010259 0.89 USP2 (0.50) USP2GLAALDH1A1PKMTSHR
SCHEMBL10008771 0.83 RAB9A (0.49) ALDH1A1KDM4EMAPTHPGDRAB9A
SCHEMBL10008867 0.82 ALDH1A1 (0.53) USP2GLAALDH1A1PKMTSHR
SCHEMBL10009007 0.81 MAPT (0.49) USP2GLAALDH1A1PKMTSHR
SCHEMBL10299122 0.80 USP2 (0.51) USP2GLAALDH1A1PKMTSHR
SCHEMBL10299119 0.79 PKM (0.48) USP2GLAALDH1A1PKMTSHR
SCHEMBL10008878 0.79 NPC1 (0.58) USP2GLAALDH1A1PKMTSHR
SCHEMBL10008363 0.77 PKM (0.52) USP2GLAALDH1A1PKMTSHR
SCHEMBL10299117 0.74 RAB9A (0.49) ALDH1A1KDM4EPOLBMAPTHPGD

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
WO-2012092471-A2 NOVEL TUBULIN INHIBITORS AND METHODS OF USING THE SAME DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2012-07-05 — — WO claimed
US-20120172374-A1 NOVEL TUBULIN INHIBITORS AND METHODS OF USING THE SAME DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2012-07-05 — — US claimed
US-8883793-B2 Tubulin inhibitors and methods of using the same DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2014-11-11 — — US disclosed
US-20120172374-A1 NOVEL TUBULIN INHIBITORS AND METHODS OF USING THE SAME DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2012-07-05 — — 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-20120172374-A1 NOVEL TUBULIN INHIBITORS AND METHODS OF USING THE SAME TUBB1, TUBA1C, TUBB USP2 3331/4885GLA 738/4885ALDH1A1 2950/4885

“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.

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