SCHEMBL4334602

SCHEMBL4334602

Oc1cccc2c1ccn2CC1CO1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.50
DHFR P00374 1/20 0.43
HTR6 P50406 1/20 0.40
MAPT P10636 1/20 0.36
GRIN2B Q13224 1/20 0.36
HTR2A P28223 3/20 0.35
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
FGFR1 P11362 1/20 0.33
APP P05067 1/20 0.32
TP53 P04637 1/20 0.32
HBB P68871 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
P2RX7 Q99572 1/20 0.32
PRMT5 O14744 1/20 0.32
SLC5A1 P13866 1/20 0.32
SLC5A2 P31639 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL30098906 0.81 DHFR (0.43) HTR2CDHFRHTR6MAPTGRIN2B
SCHEMBL6581230 0.81 HTR2A (0.50) HTR2CDHFRHTR6MAPTGRIN2B
SCHEMBL6583651 0.81 HTR2A (0.50) HTR2CDHFRHTR6MAPTGRIN2B
SCHEMBL4334349 0.81 HTR2C (0.53) HTR2CHTR6HTR2ACNR1CNR2
SCHEMBL6580104 0.78 HTR2C (0.55) HTR2CDHFRHTR6GRIN2BHTR2A
SCHEMBL6580004 0.78 HTR2C (0.55) HTR2CDHFRHTR6GRIN2BHTR2A
SCHEMBL14353267 0.76 DHFR (0.39) HTR2CDHFRHTR6GRIN2BCNR1
SCHEMBL4321418 0.74 HTR2C (0.60) HTR2CHTR6MAPTHTR2AAPP
SCHEMBL30119624 0.73 CDK4 (0.55) HTR2CDHFRHTR6HTR2ASMN1; SMN2
SCHEMBL408456 0.73 CDK4 (0.55) HTR2CDHFRHTR6HTR2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1509515-A4 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) 2006-07-05 EP 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
EP-1509515-A2 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) 2005-03-02 EP disclosed
WO-2003097806-A2 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) 2003-11-27 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-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 HTR2C 2142/4885DHFR 1489/4885HTR6 1981/4885

“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.