SCHEMBL10299106

SCHEMBL10299106

Cc1cc(Cc2cnc(NC(=O)CCc3cccnc3)s2)ccc1OC(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ LMNA P02545 3/20 0.44
▸ TP53 P04637 1/20 0.44
▸ KMT2A Q03164 4/20 0.43
▸ SIRT2 Q8IXJ6 4/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ ZAP70 P43403 1/20 0.42
▸ SYK P43405 1/20 0.42
▸ FFAR4 Q5NUL3 1/20 0.40
▸ CCNE1 P24864 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CDK5 Q00535 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL10299105 0.94 NPC1 (0.48) NPC1RAB9ALMNATP53KMT2A
SCHEMBL10009039 0.91 KMT2A (0.51) NPC1RAB9ALMNATP53KMT2A
SCHEMBL10299107 0.90 KMT2A (0.53) NPC1RAB9ALMNATP53KMT2A
SCHEMBL10299097 0.87 KMT2A (0.56) NPC1RAB9ALMNATP53KMT2A
SCHEMBL10008892 0.84 KMT2A (0.55) NPC1RAB9ALMNATP53KMT2A
SCHEMBL10008023 0.81 KMT2A (0.63) NPC1RAB9ALMNAKMT2AMEN1
SCHEMBL10009437 0.80 KMT2A (0.53) NPC1RAB9ALMNATP53KMT2A
SCHEMBL10299111 0.78 ALDH1A1 (0.56) NPC1RAB9ALMNATP53KMT2A
SCHEMBL10008527 0.78 SIRT2 (0.58) NPC1RAB9ALMNATP53KMT2A
SCHEMBL10008147 0.78 SIRT2 (0.55) NPC1RAB9ALMNATP53KMT2A

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 NPC1 1216/4885RAB9A 1099/4885LMNA 1114/4885

“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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