SCHEMBL4324927

SCHEMBL4324927

COc1cc(C2C(C#N)=C(N)Oc3c2ccc2ncccc32)cc(OC)c1OC

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYB P10242 15/20 0.72
POLB P06746 1/20 0.59
RAB9A P51151 1/20 0.59
NPC1 O15118 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
TUBB4A P04350 1/20 0.57
TUBB P07437 1/20 0.57
TUBA3C P0DPH7 1/20 0.57
TUBA1B P68363 1/20 0.57
TUBA4A P68366 1/20 0.57
TUBB4B P68371 1/20 0.57
TUBB3 Q13509 1/20 0.57
TUBB2A Q13885 1/20 0.57
TUBB8 Q3ZCM7 1/20 0.57
TUBA3E Q6PEY2 1/20 0.57
TUBA1A Q71U36 1/20 0.57
TUBA1C Q9BQE3 1/20 0.57
TUBB6 Q9BUF5 1/20 0.57
TUBB2B Q9BVA1 1/20 0.57
TUBB1 Q9H4B7 1/20 0.57

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
SCHEMBL4319288 0.94 TUBB4A (0.67) MYBPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL8111856 0.90 POLB (0.73) MYBPOLBRAB9ASMN1; SMN2MAPK1
SCHEMBL8112666 0.85 HSD17B10 (0.57) MYBPOLBRAB9ANPC1MAPK1
SCHEMBL4335346 0.84 MYB (1.00) MYB
SCHEMBL4540411 0.80 TUBB4A (0.72) MYBNPC1SMN1; SMN2TUBB4ATUBB
SCHEMBL8117453 0.80 MAPT (0.52) MYBPOLBRAB9ANPC1SMN1; SMN2
SCHEMBL8112822 0.79 MYB (0.58) MYBPOLBRAB9ANPC1HSD17B10
SCHEMBL4334924 0.79 POLB (0.75) MYBPOLBRAB9ANPC1TUBB4A
SCHEMBL5044963 0.78 MYB (0.89) MYB
SCHEMBL4327993 0.78 TUBB4A (0.87) MYBRAB9ANPC1SMN1; SMN2TUBB4A

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
EP-1230232-B1 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2004-02-25 EP claimed
US-7507762-B2 Substituted 4H-chromene and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2009-03-24 US disclosed
US-20050154015-A1 Substituted 4H-chromene and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2005-07-14 US disclosed
US-6906203-B1 Substituted 4H-chromene and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2005-06-14 US disclosed
EP-1230232-B1 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2004-02-25 EP disclosed
EP-1230232-A2 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2002-08-14 EP disclosed
WO-2001034591-A2 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2001-05-17 WO 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-20050154015-A1 Substituted 4H-chromene and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP4, CASP3, CASP5 MYB 429/4885POLB 3390/4885RAB9A 2000/4885

“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.