SCHEMBL10009103

SCHEMBL10009103

COc1cccc(CCC(=O)Nc2ncc(Cc3ccc(C(F)(F)F)cc3)s2)c1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 10/20 0.64
▸ KMT2A Q03164 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ CSNK1D P48730 1/20 0.51
▸ ABL1 P00519 2/20 0.51
▸ ADORA3 P0DMS8 1/20 0.51
▸ MAOB P27338 1/20 0.51
▸ ADORA2A P29274 1/20 0.51
▸ ADORA2B P29275 1/20 0.51
▸ ADORA1 P30542 1/20 0.51

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
SCHEMBL10299109 0.88 MEN1 (0.59) SCDKMT2AMEN1LMNAMAPT
SCHEMBL10009438 0.86 JAK2 (0.57) SCDKMT2AMEN1LMNAMAPT
SCHEMBL10009298 0.85 LMNA (0.55) SCDKMT2AMEN1LMNAMAPT
SCHEMBL10008802 0.85 KMT2A (0.66) SCDKMT2AMEN1MAPTADORA3
SCHEMBL10008888 0.85 SIRT2 (0.58) SCDKMT2AMEN1LMNAMAPT
SCHEMBL10008113 0.84 SCD (0.54) SCDKMT2AMEN1MAPTADORA3
SCHEMBL10009261 0.82 ABL1 (0.50) SCDKMT2AMEN1LMNAMAPT
SCHEMBL10007768 0.81 ABL1 (0.61) SCDKMT2AMEN1LMNAMAPT
SCHEMBL10008763 0.81 MEN1 (0.57) SCDKMT2AMEN1LMNAMAPT
SCHEMBL10008959 0.81 ABL1 (0.63) SCDKMT2AMEN1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883793-B2 Tubulin inhibitors and methods of using the same DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2014-11-11 — — US claimed
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 SCD 4391/4885KMT2A 1778/4885MEN1 740/4885

“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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