SCHEMBL10299103

SCHEMBL10299103

Cc1cccc(CCC(=O)Nc2ncc(Cc3c(F)c(F)c(F)c(F)c3F)s2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.57
▸ MEN1 O00255 4/20 0.57
▸ NPC1 O15118 4/20 0.57
▸ RAB9A P51151 4/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ MAPT P10636 3/20 0.57
▸ KDM4E B2RXH2 3/20 0.57
▸ HPGD P15428 2/20 0.57
▸ SIRT2 Q8IXJ6 3/20 0.55
▸ ABL1 P00519 1/20 0.53
▸ PKM P14618 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ LMNA P02545 5/20 0.46
▸ TP53 P04637 2/20 0.45
▸ NFKB1 P19838 2/20 0.44
▸ NFKB2 Q00653 2/20 0.44
▸ RELA Q04206 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ HDAC1 Q13547 1/20 0.44

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
SCHEMBL10008113 0.87 SCD (0.54) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL10008485 0.87 NPC1 (0.57) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL10299099 0.86 KMT2A (0.63) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL10009377 0.83 SIRT2 (0.46) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL10299109 0.83 MEN1 (0.59) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL10299104 0.82 MAPT (0.63) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL10299101 0.80 KMT2A (0.60) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL10009245 0.75 SIRT2 (0.65) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL10299107 0.74 KMT2A (0.53) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL10299113 0.74 CCNE1 (0.52) KMT2AMEN1NPC1RAB9AALDH1A1

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 2 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 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 KMT2A 1778/4885MEN1 740/4885NPC1 1216/4885

“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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