SCHEMBL4332183

SCHEMBL4332183

COc1ccc2c(c1)OC(N)=C(C#N)C2c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.81
NPC1 O15118 1/20 0.81
MITF O75030 2/20 0.67
HTT P42858 2/20 0.67
RAB9A P51151 1/20 0.67
PAX8 Q06710 1/20 0.67
KDM4E B2RXH2 3/20 0.65
ALDH1A1 P00352 3/20 0.65
TSHR P16473 1/20 0.65
GFER P55789 1/20 0.65
TUBB4A P04350 4/20 0.65
TUBB P07437 4/20 0.65
TUBA3C P0DPH7 4/20 0.65
TUBA1B P68363 4/20 0.65
TUBA4A P68366 4/20 0.65
TUBB4B P68371 4/20 0.65
TUBB3 Q13509 4/20 0.65
TUBB2A Q13885 4/20 0.65
TUBB8 Q3ZCM7 4/20 0.65
TUBA3E Q6PEY2 4/20 0.65

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
SCHEMBL31238159 1.00 SMN1; SMN2 (0.81) SMN1; SMN2NPC1MITFHTTRAB9A
SCHEMBL4320572 0.92 TUBB4A (0.77) SMN1; SMN2NPC1MITFHTTRAB9A
SCHEMBL4425550 0.89 SMN1; SMN2 (1.00) SMN1; SMN2NPC1MITFHTTRAB9A
SCHEMBL4326091 0.88 ALDH1A1 (0.64) SMN1; SMN2NPC1MITFHTTRAB9A
SCHEMBL4427815 0.87 SMN1; SMN2 (0.79) SMN1; SMN2NPC1MITFHTTRAB9A
SCHEMBL4320545 0.85 TUBB4A (0.86) SMN1; SMN2NPC1MITFHTTRAB9A
SCHEMBL5959381 0.85 ALDH1A1 (0.60) SMN1; SMN2NPC1MITFHTTKDM4E
SCHEMBL5959417 0.85 KDM4E (0.60) SMN1; SMN2NPC1HTTKDM4EALDH1A1
SCHEMBL5959439 0.84 MEN1 (0.67) SMN1; SMN2NPC1HTTKDM4EALDH1A1
SCHEMBL31237204 0.84 MAPK1 (0.65) SMN1; SMN2NPC1HTTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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-20030065018-A1 Substituted 4H-chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-04-03 US 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-7476741-B2 Substituted 4H-chromens, 2H-chromenes, chromans and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2009-01-13 US disclosed
US-7053117-B2 Substituted 4H-chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2006-05-30 US disclosed
US-20060035925-A1 SUBSTITUTED 4H-CHROMENES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2006-02-16 US disclosed
EP-1392683-A4 SUBSTITUTED 4 i H /i -CHROMENES AND ANALOGS AS ACTIVATORS OFGASP ASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2005-10-26 EP disclosed
US-20050176750-A1 Substituted 4h-chromens, 2h-chromenes, chromans and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2005-08-11 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-1392683-A1 SUBSTITUTED 4 i H /i -CHROMENES AND ANALOGS AS ACTIVATORS OFGASP ASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2004-03-03 EP 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
US-20030065018-A1 Substituted 4H-chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-04-03 US disclosed
WO-2002092594-A1 SUBSTITUTED 4H-CHROMENES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2002-11-21 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 (4 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 SMN1; SMN2 4107/4885NPC1 3666/4885MITF 382/4885
US-20050176750-A1 Substituted 4h-chromens, 2h-chromenes, chromans and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP3, CASP4, CASP10 SMN1; SMN2 3885/4885NPC1 3560/4885MITF 298/4885
US-20060035925-A1 SUBSTITUTED 4H-CHROMENES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CASP4, CASP3, CASP7 SMN1; SMN2 3907/4885NPC1 3790/4885MITF 538/4885
US-20030065018-A1 Substituted 4H-chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP4, CASP5, CASP1 SMN1; SMN2 3893/4885NPC1 2578/4885MITF 386/4885

“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.