SCHEMBL4332782

SCHEMBL4332782

COc1ccc2c(c1)OC(N)=C(C#N)C2c1cncc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
KDM4E B2RXH2 4/20 0.55
TSHR P16473 3/20 0.55
GFER P55789 2/20 0.55
MEN1 O00255 11/20 0.53
KMT2A Q03164 11/20 0.53
CASP1 P29466 3/20 0.53
LMNA P02545 3/20 0.53
TDP1 Q9NUW8 1/20 0.53
MAPT P10636 6/20 0.51
NPSR1 Q6W5P4 3/20 0.51
PKM P14618 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 3/20 0.51
HPGD P15428 2/20 0.51
GAA P10253 4/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48

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
SCHEMBL4331078 0.90 ALDH1A1 (0.58) ALDH1A1KDM4ETSHRGFERMEN1
SCHEMBL4323656 0.88 ALDH1A1 (0.56) ALDH1A1KDM4ETSHRGFERMEN1
SCHEMBL5959381 0.88 ALDH1A1 (0.60) ALDH1A1KDM4ETSHRGFERMEN1
SCHEMBL4334941 0.87 ALDH1A1 (0.55) ALDH1A1KDM4ETSHRGFERMEN1
SCHEMBL4336221 0.86 KDM4E (0.58) ALDH1A1KDM4ETSHRGFERMEN1
SCHEMBL4332609 0.85 ALDH1A1 (0.53) ALDH1A1KDM4ETSHRGFERMEN1
SCHEMBL4430598 0.84 ALDH1A1 (0.74) ALDH1A1KDM4ETSHRGFERMEN1
SCHEMBL4428477 0.83 ALDH1A1 (0.65) ALDH1A1KDM4ETSHRGFERMEN1
SCHEMBL4326091 0.82 ALDH1A1 (0.64) ALDH1A1KDM4ETSHRGFERMEN1
SCHEMBL4320562 0.81 MAPK1 (0.65) ALDH1A1KDM4ETSHRGFERMEN1

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 10 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
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 claimed
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 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 ALDH1A1 2306/4885KDM4E 789/4885TSHR 2030/4885

“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.