SCHEMBL4335935

SCHEMBL4335935

O=[N+]([O-])c1cccc2ocnc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.53
PDE10A Q9Y233 1/20 0.50
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 1/20 0.46
TDP1 Q9NUW8 3/20 0.45
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
TXNRD1 Q16881 1/20 0.45
TXNRD3 Q86VQ6 1/20 0.45
TXNRD2 Q9NNW7 1/20 0.45
GPR35 Q9HC97 1/20 0.42
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
TSHR P16473 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX15 P16050 1/20 0.41

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
Ethane SCHEMBL4317962 0.97 PIN1 (0.54) PIN1PDE10AMEN1KMT2AMAPT
Benzo[D]Oxazole SCHEMBL28052347 0.77 POLB (0.44) PIN1MEN1KMT2AMAPTGAA
SCHEMBL8469273 0.73 HPRT1 (0.47) PIN1MEN1KMT2AMAPTGAA
SCHEMBL9952704 0.72 ERN1 (0.38) PIN1MEN1KMT2AMAPTGAA
SCHEMBL28052403 0.71 PDE10A (0.50) PDE10AMEN1KMT2AMAPTGAA
SCHEMBL7254456 0.71 POLB (0.49) PDE10AMEN1KMT2ATDP1ALDH1A1
SCHEMBL19244 0.71 MEN1 (0.46) PDE10AMEN1KMT2AMAPTGAA
SCHEMBL29732491 0.71 MEN1 (0.46) PDE10AMEN1KMT2AMAPTGAA
SCHEMBL2005830 0.71 PIN1 (0.40) PIN1MEN1KMT2AGAAALDH1A1
SCHEMBL9188743 0.70 ALDH1A1 (0.46) PIN1PDE10AMEN1KMT2AMAPT

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
CN-110156712-A It is a kind of to utilize aromatic nitration by-product synthesis benzoxazoles class compound and application 邵玉田 2019-08-23 CN claimed
CN-110156712-A It is a kind of to utilize aromatic nitration by-product synthesis benzoxazoles class compound and application 邵玉田 2019-08-23 CN disclosed
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-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-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
CN-100349887-C Substituted 4-aryl-4H-pyrrolo [2, 3-H ] chromenes and analogs, pharmaceutical compositions and uses thereof CYTOVIA INC (US) 2007-11-21 CN 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 PIN1 286/4885PDE10A 2785/4885MEN1 4060/4885

“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.