SCHEMBL17576071

SCHEMBL17576071

COc1cc(/C(C#N)=C/c2ccc3ccccc3n2)cc(OC)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.45
▸ NPC1 O15118 5/20 0.44
▸ RAB9A P51151 5/20 0.44
▸ MAPT P10636 3/20 0.44
▸ KDM4E B2RXH2 3/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ POLB P06746 3/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ USP2 O75604 2/20 0.43
▸ TNNI3 P19429 1/20 0.43
▸ TNNT2 P45379 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ TNNC1 P63316 1/20 0.43
▸ MCOLN3 Q8TDD5 1/20 0.43
▸ TUBB4A P04350 3/20 0.43
▸ TUBB P07437 3/20 0.43
▸ TUBA3C P0DPH7 3/20 0.43
▸ TUBA1B P68363 3/20 0.43
▸ TUBA4A P68366 3/20 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
SCHEMBL16180418 0.91 TUBB4A (0.54) GLANPC1RAB9AMAPTKDM4E
SCHEMBL16180419 0.91 TUBB4A (0.54) GLANPC1RAB9AMAPTKDM4E
SCHEMBL20101492 0.89 TUBB4A (0.47) GLANPC1RAB9AMAPTKDM4E
SCHEMBL1956955 0.88 GLA (0.54) GLANPC1RAB9AMAPTKDM4E
SCHEMBL1956953 0.88 GLA (0.54) GLANPC1RAB9AMAPTKDM4E
SCHEMBL16180542 0.86 KDM4E (0.53) GLANPC1RAB9AMAPTKDM4E
SCHEMBL16180543 0.86 KDM4E (0.53) GLANPC1RAB9AMAPTKDM4E
SCHEMBL16190108 0.85 MAPT (0.49) GLANPC1RAB9AMAPTKDM4E
SCHEMBL20106756 0.84 TUBB4A (0.45) NPC1RAB9AMAPTKDM4EPOLB
SCHEMBL20106730 0.80 MAPT (0.46) GLANPC1RAB9AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118710-A1 COMBRETASTATIN ANALOGS BIOVENTURES, LLC 2018-05-03 — — US disclosed
US-9884842-B2 Combretastatin analogs BIOVENTURES, LLC (US) 2018-02-06 — — US disclosed
US-20160068506-A1 COMBRETASTATIN ANALOGS BIOVENTURES, LLC 2016-03-10 — — 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 (2 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-20180118710-A1 COMBRETASTATIN ANALOGS HDAC6, HDAC11, HDAC5 GLA 458/4885NPC1 430/4885RAB9A 544/4885
US-20160068506-A1 COMBRETASTATIN ANALOGS HDAC6, HDAC11, HDAC5 GLA 458/4885NPC1 430/4885RAB9A 544/4885

“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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