SCHEMBL10008771

SCHEMBL10008771

COc1cccc(-c2cnc(NC(=O)CCc3ccccc3)nc2)c1OC

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MAP3K11 Q16584 1/20 0.47
▸ FFAR1 O14842 2/20 0.44
▸ FFAR4 Q5NUL3 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ LTB4R Q15722 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43

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
SCHEMBL10299117 0.89 RAB9A (0.49) RAB9AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10008639 0.88 MAPT (0.56) RAB9AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10007553 0.83 USP2 (0.51) RAB9AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10008445 0.78 ALDH1A1 (0.52) RAB9AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10299124 0.77 MAPT (0.56) RAB9AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10008805 0.77 ADORA3 (0.59) RAB9AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10008854 0.76 MMP1 (0.55) RAB9AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL10008857 0.76 MMP1 (0.55) RAB9AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL10299504 0.76 MMP1 (0.55) RAB9AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL10008750 0.74 HCAR2 (0.58) RAB9AALDH1A1SMN1; SMN2GAAMAPT

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 7 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-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
US-20120172374-A1 NOVEL TUBULIN INHIBITORS AND METHODS OF USING THE SAME DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2012-07-05 — — US disclosed
WO-2012092471-A2 NOVEL TUBULIN INHIBITORS AND METHODS OF USING THE SAME DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2012-07-05 — — 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 (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 RAB9A 1099/4885MEN1 740/4885KMT2A 1778/4885

“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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