SCHEMBL4330101

SCHEMBL4330101

COc1cc(C2C(C#N)=C(N)Oc3c2ccc2c3ccn2C)cc(OC)c1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYB P10242 14/20 0.67
NPC1 O15118 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
TUBB4A P04350 3/20 0.58
TUBB P07437 3/20 0.58
TUBA3C P0DPH7 3/20 0.58
TUBA1B P68363 3/20 0.58
TUBA4A P68366 3/20 0.58
TUBB4B P68371 3/20 0.58
TUBB3 Q13509 3/20 0.58
TUBB2A Q13885 3/20 0.58
TUBB8 Q3ZCM7 3/20 0.58
TUBA3E Q6PEY2 3/20 0.58
TUBA1A Q71U36 3/20 0.58
TUBA1C Q9BQE3 3/20 0.58
TUBB6 Q9BUF5 3/20 0.58
TUBB2B Q9BVA1 3/20 0.58
TUBB1 Q9H4B7 3/20 0.58
MITF O75030 1/20 0.52
HTT P42858 1/20 0.52

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
SCHEMBL4321863 0.93 TUBB4A (0.68) MYBNPC1SMN1; SMN2TUBB4ATUBB
SCHEMBL4320224 0.93 MYB (0.60) MYBNPC1SMN1; SMN2TUBB4ATUBB
SCHEMBL4343035 0.88 MYB (0.53) MYBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4339420 0.88 TUBB4A (0.56) MYBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4335976 0.87 MYB (0.63) MYBNPC1SMN1; SMN2TUBB4ATUBB
SCHEMBL4328201 0.86 TUBB4A (0.57) MYBNPC1SMN1; SMN2TUBB4ATUBB
SCHEMBL5618119 0.86 HSD17B10 (0.64) MYBTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4321663 0.84 MAPK1 (0.54) MYBSMN1; SMN2RAB9A
SCHEMBL4332182 0.83 MYB (0.46) MYBRAB9A
SCHEMBL4320003 0.83 MYB (0.51) MYBNPC1HTT

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
US-20060104998-A1 Substituted 4-aryl-4h-pyrrolo[2,3-h]chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2006-05-18 US claimed
US-7528164-B2 Substituted 4-aryl-4h-pyrrolo[2,3-h]chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2009-05-05 US disclosed
US-7235674-B2 Substituted coumarins and quinolines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-06-26 US disclosed
US-20060104998-A1 Substituted 4-aryl-4h-pyrrolo[2,3-h]chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2006-05-18 US disclosed
US-7015328-B2 Substituted coumarins and quinolines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2006-03-21 US disclosed
US-20050090526-A1 Substituted coumarins and quinolines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2005-04-28 US disclosed
US-20030114485-A1 Substituted coumarins and quinolines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-06-19 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 (3 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-20060104998-A1 Substituted 4-aryl-4h-pyrrolo[2,3-h]chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP3, CASP4, CASP2 MYB 326/4885NPC1 3948/4885SMN1; SMN2 4242/4885
US-20030114485-A1 Substituted coumarins and quinolines and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP7, CASP1, CASP5 MYB 1001/4885NPC1 739/4885SMN1; SMN2 4828/4885
US-20050090526-A1 Substituted coumarins and quinolines and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP7, CASP5, CASP14 MYB 959/4885NPC1 916/4885SMN1; SMN2 4847/4885

“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.